BEGIN IONS TITLE=CCMSLIB00000081017 PEPMASS=438.324 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B03A18 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081017 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081017 SCANS=1 105.068466 458.062897 107.085556 276.775787 109.068901 32.375809 109.10083 274.84021 111.079491 256.501495 119.085152 534.72998 121.100464 50.040001 123.078987 81.913261 123.114563 137.227493 131.086121 92.441727 133.100464 304.969086 135.118591 92.499672 137.094757 32.835411 145.103592 70.722221 147.118378 224.071198 148.026642 55.765869 149.067001 108.448303 149.130554 59.485291 149.431564 33.920071 150.07695 7485.691895 150.130539 50.918819 150.181503 29.04003 150.224792 27.63912 150.29245 29.86508 150.33255 34.0 150.579987 26.00079 159.116852 132.208298 161.129562 27.978331 162.07402 46.013699 163.086975 197.679504 163.147781 84.15921 164.093369 89.833344 171.121735 29.18799 173.129471 59.211861 175.149094 99.917503 177.16275 80.380928 179.139923 76.08091 187.145447 57.87759 189.162155 109.842003 190.105591 46.232052 201.16507 45.333618 203.178314 76.394814 215.177399 109.911797 218.160126 69.839287 230.139694 109.320602 232.151367 39.507351 258.1633 51.1096 271.242676 79.703781 302.237244 37.64286 313.223022 31.01111 408.315735 35.945271 418.001221 60.101219 418.075012 29.790119 418.152283 27.34478 420.312073 13849.599609 420.402649 532.63092 420.631927 26.69467 420.799713 40.97139 420.908539 83.876373 421.040009 94.259903 421.069733 90.27317 421.194092 39.801281 432.11673 38.613171 435.661041 43.48761 436.431763 40.397091 438.26886 355.878601 438.322418 12072.330078 438.485138 116.9776 438.603668 39.069759 438.651031 192.518799 438.870453 115.427902 439.016907 26.21368 440.063141 25.894171 END IONS BEGIN IONS TITLE=CCMSLIB00000081018 PEPMASS=713.846 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B14A08 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081018 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081018 SCANS=1 111.055672 59.118271 111.068573 31.92857 136.07251 38.40115 141.064957 160.247192 169.972092 32.52647 170.941147 46.74984 185.965729 39.559559 195.943436 32.16156 196.955582 38.601521 197.967575 570.122986 209.967392 38.627289 218.104828 42.714729 222.972153 56.80888 224.988556 72.510147 235.978607 69.205391 237.995911 70.354187 239.960159 40.930801 240.972534 658.812012 247.06749 41.39653 252.976791 55.902931 253.984283 60.419769 262.866882 79.524353 266.955841 34.351479 267.958557 60.402271 267.99176 45.03104 269.970673 43.17083 276.884949 3438.895996 281.004517 219.940704 283.97171 66.02021 284.963379 131.022797 284.98111 36.098652 288.882294 46.041828 290.89975 44.654518 291.893921 39.95406 292.88092 2742.072998 296.990662 60.168072 302.900085 46.436729 304.876129 42.915791 313.980316 82.565697 314.902832 125.9431 317.875519 230.795807 317.912598 316.322815 319.891754 175.609299 321.944733 127.529602 324.012207 39.660912 330.859039 457.575806 331.888855 45.85355 345.869171 114.575104 347.886902 42.30677 350.970032 552.142273 359.923004 2696.22998 360.222321 38.189468 360.254547 41.0341 362.896667 35.12085 363.878937 157.509796 374.896118 33.403591 376.949432 2462.981934 386.908447 65.295471 387.916931 616.805115 389.919891 45.90308 392.910126 68.357819 402.92572 94.526917 403.957489 135.503006 420.938721 1984.916016 421.180847 32.84687 605.891846 39.119461 633.916504 189.745499 695.836792 185.847794 709.102173 31.2488 709.237427 32.97258 709.308167 34.81501 713.766602 225.217896 713.844299 10714.719727 713.954651 179.126602 714.089233 145.735107 714.141235 138.536301 714.181274 52.874741 714.344421 54.09901 714.401794 93.65081 714.488098 92.384407 714.534668 34.83456 714.70697 67.353317 END IONS BEGIN IONS TITLE=CCMSLIB00000081019 PEPMASS=339.196 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=Smenochromenes_B [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081019 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081019 SCANS=1 105.069649 1559.366943 107.085144 8178.910156 109.101151 1503.05896 115.052933 468.876587 117.069389 340.608887 119.048691 275.328613 119.085312 2771.799072 121.064102 570.648193 121.100937 4618.503906 123.115189 360.505493 129.069321 653.421082 131.049347 354.366608 131.084198 667.463318 133.06369 1991.516968 133.101089 707.553223 135.116547 4660.024902 141.068192 241.093597 142.078033 251.350403 143.085037 371.311188 145.064194 2648.194092 145.100525 534.19989 147.042358 689.744019 147.079529 1316.963013 147.113403 337.435486 149.060471 389.117889 149.13147 909.143677 151.038391 5214.036133 157.06572 358.005707 159.042786 860.123413 159.079529 2648.626953 159.117279 540.736328 161.059052 8102.179199 161.132278 513.555725 163.074066 281.690491 165.053864 796.948486 171.079956 915.844482 173.058762 4074.735107 175.038712 684.564575 175.075638 1453.072021 176.046112 327.102386 177.053574 926.57959 179.070587 559.287781 183.079498 462.704498 185.060059 696.29657 185.095657 364.733612 187.074295 3034.343994 187.14859 622.46283 188.0448 1005.56897 189.053574 1890.376953 189.089066 243.097702 190.062195 1478.010986 191.070145 10479.679688 197.094711 587.093201 199.074707 1423.005005 199.109238 267.739288 201.054062 1043.703003 201.089798 440.343903 202.062576 1700.651978 203.069305 4864.745117 205.084641 1236.543945 211.073639 834.995789 211.107758 499.92569 212.080627 333.847504 213.08844 566.656128 213.124435 529.612976 214.058029 300.016388 215.070236 3980.706055 217.085815 7944.240234 225.090332 521.537476 225.125977 668.983276 226.062561 296.9039 226.09079 265.68219 227.067398 926.346985 228.075882 1538.792969 229.084717 1885.68103 231.100937 627.027588 240.07547 330.915497 241.084229 810.026611 241.120544 488.068115 242.093506 1099.589966 243.101074 1175.363037 245.117996 383.560394 253.087662 303.75351 253.120651 350.53299 254.089386 929.709717 255.10022 1147.534058 256.106537 942.742004 257.115448 1532.619019 268.107544 284.662292 269.11557 587.264221 270.12207 277.403412 271.13205 754.798523 283.133514 1268.005005 339.19455 879.410706 END IONS BEGIN IONS TITLE=CCMSLIB00000081020 PEPMASS=252.103 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=3_formamido_1_10__cadinene [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081020 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081020 SCANS=1 103.052505 26.28441 104.047935 19.614149 105.032791 60.525299 115.053482 44.95961 128.047333 22.469379 140.069794 43.364811 174.053543 49.76976 179.083359 17.43276 206.095093 145.445908 208.107819 18.325239 234.089905 46.444408 252.101959 419.397003 252.176315 38.570179 END IONS BEGIN IONS TITLE=CCMSLIB00000081021 PEPMASS=387.29 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B26A09 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081021 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081021 SCANS=1 105.069016 192.593094 107.08493 434.536285 109.099846 214.242599 115.052971 141.733002 117.069412 579.605103 120.055809 31.816059 127.075142 927.838013 127.111137 212.523804 133.101654 133.605194 135.046127 96.711487 135.058838 41.10593 135.080215 29570.890625 135.129211 187.137405 135.212158 68.106102 135.23587 54.448441 135.251938 34.6749 135.27124 49.784039 135.288162 85.062363 135.306961 48.461208 135.332306 59.185009 135.345215 34.657879 135.37352 32.05027 135.386551 43.141171 135.398453 41.66539 135.471146 43.069691 135.66803 31.97308 135.710938 35.83028 135.756378 30.07432 143.106995 39.03157 153.126602 415.405914 163.111252 34.257099 175.107956 32.451511 177.092712 52.091431 177.127594 30.806141 209.192398 30.1257 219.139038 104.4217 219.168472 48.32378 235.168137 47.800419 237.184097 165.636597 255.231323 34.644531 269.189484 161.5914 285.221039 85.667374 287.200897 43.4543 303.23053 116.764297 369.277557 87.187531 387.288788 681.39978 END IONS BEGIN IONS TITLE=CCMSLIB00000081022 PEPMASS=293.102 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B18A08a [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081022 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081022 SCANS=1 103.05349 264.670288 105.069298 1947.406006 107.04895 365.84201 107.083961 307.502991 109.063751 1070.46106 111.043411 779.478027 111.078888 148.470993 113.060211 170.886398 115.039131 269.873688 115.05378 541.95697 116.061859 374.287201 117.069527 764.599915 119.048042 224.069107 119.084694 1434.032959 121.064095 655.548523 121.101028 259.105286 123.007256 138.263596 123.044106 603.897888 123.080681 158.731003 125.058937 353.862488 127.038261 150.917892 127.05471 238.113403 128.061844 779.246887 129.069183 909.643311 130.076874 310.479706 131.047409 156.161407 131.08461 964.578796 133.064163 652.466919 133.099716 771.845886 135.043869 297.65271 135.079803 331.165192 137.020523 121.110901 137.059006 1580.952026 139.038025 337.221191 139.073517 188.026093 141.069138 798.100281 142.076965 1095.031982 143.085281 655.921387 144.057327 187.554901 145.063614 681.971924 145.099823 1206.26001 147.079849 1412.98999 147.115707 511.163086 149.057861 121.636497 149.095078 926.704224 151.037933 573.061584 151.109253 154.628693 153.054398 163.526398 153.069473 132.426804 155.071045 611.819092 155.083984 269.6026 157.063156 142.926605 157.100174 1187.871948 158.071121 288.481812 159.0793 1221.800049 159.115189 361.900513 161.059723 760.167175 161.094757 1138.18103 163.074448 170.657303 163.111221 194.561905 165.051834 127.540703 165.088959 164.144608 167.083221 150.878998 169.098541 224.247299 170.070221 132.027893 171.079102 195.115295 172.087234 155.7677 173.058044 116.113602 173.095108 1226.037964 175.074173 356.140503 175.111069 1209.378052 177.089081 288.236389 179.10611 239.565506 183.079132 237.710403 185.094498 1075.488037 187.074539 784.5271 187.110321 313.198792 189.052704 121.1185 189.090607 141.765594 191.105133 420.116089 193.084778 123.643997 201.090729 944.021606 203.105576 1169.150024 205.085663 337.884186 211.074799 169.513397 213.090866 432.353607 219.100342 1121.459961 221.114792 195.850906 229.085251 696.330017 231.100952 602.869385 233.078873 159.317703 247.095139 1552.97998 257.079529 419.062988 265.105103 509.752289 275.091583 245.209106 293.10141 972.314087 END IONS BEGIN IONS TITLE=CCMSLIB00000081023 PEPMASS=315.196 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=Cembrane_Diterpene_plus_CHO [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081023 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081023 SCANS=1 105.06971 1444.404053 107.085602 2498.464111 109.064735 469.880005 109.100487 563.432495 117.069672 989.101807 119.085014 1772.249023 121.064667 476.486603 121.101128 777.349487 123.079758 489.942688 129.069016 806.362671 131.085434 2087.532959 133.100677 1580.105957 135.080185 1233.770996 135.116943 571.130981 143.085098 1344.062988 145.101227 1869.021973 147.080582 522.448486 147.116333 737.497498 149.096054 807.592102 151.074677 424.127502 153.089874 453.516998 155.084946 1161.687988 157.100128 1745.998047 159.116364 1211.775024 161.095795 1426.849976 161.130783 359.068909 163.111053 1019.86499 167.085831 566.257996 169.100906 1240.437988 171.080093 408.560486 171.116119 1826.949951 173.095245 493.492004 173.132034 614.961121 175.111221 885.095886 177.090668 1503.594971 179.085983 405.920593 179.103836 352.548492 181.100632 1940.281006 183.116241 1670.71106 185.096313 692.044006 185.131973 1209.100952 187.111237 939.613525 189.126526 623.003418 193.101791 939.940674 194.107712 427.422913 195.116333 3752.587891 197.096985 412.751801 197.133545 1178.291992 199.111832 1219.275024 199.147903 790.138489 201.127441 919.812317 207.117279 538.108887 209.094574 441.384796 209.131729 4308.324219 211.111176 3786.976074 211.14769 1433.463013 213.127274 1327.723999 213.16391 695.863281 215.105881 842.501221 217.117737 418.392487 219.11647 503.515106 221.132843 739.495178 222.140961 419.255096 223.111572 583.96698 223.14772 1446.583008 224.118744 380.505615 225.126999 518.060425 225.163376 702.406677 227.107208 431.514709 227.14299 1228.81604 229.121597 466.398407 231.115784 444.152588 235.14798 803.080383 236.155746 1317.182983 237.127213 1444.953979 237.163345 731.702881 239.142502 1107.776978 241.156189 469.874603 241.193954 1547.467041 246.139618 371.707886 249.12706 548.047485 249.164078 366.297485 251.143311 452.2836 251.179581 3150.910889 253.15947 694.338623 253.194153 386.717407 254.167633 397.111603 255.139694 528.015076 255.17366 474.71521 261.164001 906.868225 264.150391 585.100403 267.175201 475.468414 269.189331 2662.281006 279.174408 2193.426025 282.161163 567.690125 297.184113 1062.387939 END IONS BEGIN IONS TITLE=CCMSLIB00000081024 PEPMASS=233.211 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B27A03 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081024 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081024 SCANS=1 105.0672 28.758329 109.101341 803.976929 109.348343 11.18382 109.37381 15.82821 111.116638 111.464302 113.098122 125.366096 113.467903 10.00872 123.117897 918.819885 123.163719 13.16346 123.279854 13.17014 123.458618 21.75 123.492401 14.37359 126.479149 11.00102 126.587646 15.81492 126.600449 10.33889 127.062744 12.1408 127.110817 2646.925049 127.168724 21.799999 127.215721 15.13587 127.295174 41.361111 127.339165 18.477381 127.355171 10.96848 127.470886 11.24575 127.954544 22.003969 137.132416 315.415894 151.822067 22.740801 166.286118 20.4109 178.36438 16.18561 178.832611 12.05797 179.17984 560.93457 179.592422 22.80055 185.19165 10.73555 196.102921 13.04167 196.147385 11.33488 196.607056 12.53186 197.188248 1626.654053 197.245087 12.67465 197.370819 19.013889 197.400299 11.36237 197.564697 11.76961 197.597137 13.39167 197.719193 15.34921 197.743729 11.71429 199.028397 17.188271 215.19928 681.728699 215.444992 10.09058 215.567551 13.47917 215.731079 11.66759 215.956558 22.09058 771.210876 19.04891 1539.441772 25.8848 END IONS BEGIN IONS TITLE=CCMSLIB00000081025 PEPMASS=331.284 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B18A15a [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081025 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081025 SCANS=1 103.073196 92.975212 109.099731 250.292099 111.079865 66.357559 122.910324 33.067219 122.926125 36.799999 123.115501 52.667889 127.147614 89.791656 165.159119 25.94669 173.153976 35.81221 175.111008 47.680561 177.988663 91.532707 179.355453 18.127451 214.947128 39.603569 219.202225 48.219051 237.763474 14.21894 239.197632 11.34375 239.23468 573.882812 239.542099 20.66667 257.243958 131.431396 257.454803 13.28736 258.25412 59.849998 271.203949 45.747551 311.379181 19.26894 313.273071 736.955627 313.349396 10.26178 313.493958 11.73333 313.564209 11.77885 313.834045 10.64015 314.042419 12.98994 314.832184 14.8293 329.472382 14.04762 331.226929 139.911102 331.277039 10.53571 END IONS BEGIN IONS TITLE=CCMSLIB00000081026 PEPMASS=324.01 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B01A06 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081026 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081026 SCANS=1 105.055321 33.25 131.046097 19.50057 131.060837 23.389999 132.069412 180.461395 132.72403 13.00461 144.041901 20.242319 146.042831 22.676411 146.049316 42.57674 147.080536 26.76082 158.042618 13.01817 160.056885 60.243252 171.935699 18.183821 174.089478 14.95 175.071747 96.82402 176.086838 21.6875 179.057648 71.156273 187.054596 72.686508 187.065964 22.804449 190.083069 75.914383 191.127655 15.48532 200.067459 15.84196 200.876038 10.81658 201.054474 53.444172 201.075485 186.253296 201.271408 10.03309 201.380066 16.506941 202.08342 796.899475 202.280701 18.50898 202.566574 11.0125 210.988251 21.42857 216.059265 101.2696 216.068283 11.79963 216.242172 15.63889 221.952805 49.342232 224.965408 312.299286 227.055191 15.0 228.06424 183.696304 232.122543 20.035509 235.985367 27.011339 236.963974 145.726807 238.981918 19.899229 245.089706 122.7257 249.957794 41.134571 251.969193 47.87027 252.961517 463.392395 253.00145 11.50654 253.239822 10.8025 253.405609 13.81818 253.987564 32.936131 263.437592 11.01 263.721588 14.50446 263.984009 31.084391 264.961304 323.216614 265.241913 14.87348 265.445801 10.62784 266.979187 28.704969 266.994598 22.66604 280.922638 27.75568 280.996765 19.371759 282.914703 16.77232 294.98233 150.353607 296.010559 30.597349 320.082397 12.11779 324.006622 75.093277 325.011902 58.158329 END IONS BEGIN IONS TITLE=CCMSLIB00000081027 PEPMASS=195.065 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B15A08 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081027 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081027 SCANS=1 110.03566 237.3862 111.044044 74579.78125 112.046646 207.344803 153.054413 7105.233887 195.064545 95.180367 END IONS BEGIN IONS TITLE=CCMSLIB00000081028 PEPMASS=333.207 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B18A06_Vallartanone_B [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081028 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081028 SCANS=1 103.053589 45.56987 105.069244 944.638489 107.085419 1225.974976 109.063622 132.9207 109.100578 885.804688 111.080109 116.994698 117.070229 153.742096 119.085403 1010.190002 121.064476 65.358902 121.100929 1658.665039 123.078293 92.010033 123.115952 161.868195 125.058769 101.661697 125.095627 201.990799 129.070328 68.003807 131.084335 351.060089 133.10022 789.791809 135.080139 46.282841 135.11586 595.990417 137.095459 70.541542 139.075836 130.389099 139.111298 112.5849 141.067123 34.970989 143.085175 143.182999 144.093063 75.750267 145.063736 43.060379 145.100983 313.589294 147.115814 704.966125 149.094711 64.648422 149.132294 162.811096 151.076859 108.992302 151.110245 78.806473 153.089279 202.346603 157.100952 112.946899 158.109879 36.869751 159.116272 544.698975 161.094818 146.369095 161.131012 290.505707 163.108566 65.140793 165.094681 52.007462 165.12381 46.170841 167.106277 37.386189 171.116272 279.737091 173.095734 71.093819 173.131409 394.112305 175.148453 56.555408 177.08876 48.106522 177.12616 55.269402 179.105133 178.020493 185.131943 325.605286 187.113708 54.424191 187.145752 42.214008 191.102753 110.955399 193.119415 109.790199 197.130524 60.917278 199.146637 324.326691 201.12677 45.453159 203.10675 61.966549 205.120361 215.236801 207.132904 54.294708 211.149078 49.574501 213.123611 38.654091 213.162766 91.779694 217.121292 105.779198 219.132965 46.284401 231.13588 49.78838 241.193954 712.061584 243.205261 40.55291 245.149307 83.068268 251.175751 70.233612 269.189087 335.710114 287.199982 864.773193 297.185089 128.177094 315.195221 130.328201 331.136414 40.85751 331.193451 39.014702 331.255829 38.424511 333.089813 40.618481 333.108612 52.52393 333.206116 24104.400391 333.419983 140.994598 333.500031 49.221119 333.518738 60.585312 333.563965 41.16935 333.593567 43.032558 333.617523 106.555 333.654694 48.594002 333.677094 35.565231 333.701202 34.038269 333.723145 60.922371 333.788635 59.484348 333.966675 43.403172 334.064178 38.624821 END IONS BEGIN IONS TITLE=CCMSLIB00000081029 PEPMASS=482.361 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=LysoPAF [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081029 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081029 SCANS=1 100.111656 46.88485 103.548439 52.097382 103.594872 36.004219 103.620476 36.03141 103.652214 48.000309 103.708572 30.911671 103.732422 30.3568 104.085335 83.348343 104.107094 25548.720703 104.151749 35.79686 104.265442 32.81356 104.305069 32.773628 104.338982 94.509003 104.354179 58.74234 104.372833 81.431953 104.408905 43.757019 104.425629 34.58279 104.438087 40.632858 104.506927 34.29147 104.536263 30.506821 104.58474 32.726189 104.624428 35.937271 104.668663 29.12125 105.629929 28.33392 113.133553 39.683708 121.100037 61.042969 124.99971 1221.713013 136.119476 37.10458 155.009552 33.302422 166.061874 323.27179 181.024551 120.809898 184.072769 3263.623047 184.130875 46.629902 184.789352 33.66856 233.117798 39.685059 240.102875 80.713158 255.264984 90.865273 299.303467 33.013439 358.361603 25.88068 405.274231 88.067413 450.295105 52.334709 482.359711 5321.540039 482.444 144.094696 482.532623 28.787041 482.636963 44.23262 482.714264 76.233131 482.813019 57.71756 482.892181 76.707123 483.023041 77.168327 483.11145 71.554008 483.159668 26.08013 483.588379 26.30575 484.304871 34.381409 484.346222 30.62594 END IONS BEGIN IONS TITLE=CCMSLIB00000081030 PEPMASS=399.253 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B04A30_1 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081030 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081030 SCANS=1 107.086349 328.423889 109.101387 453.601807 111.044182 236.304993 115.037834 241.300201 119.085251 439.057007 121.064438 1383.144043 121.100525 411.382507 123.080032 581.342712 123.113602 177.354507 125.095848 1080.785034 133.099762 479.547211 135.114883 238.857498 137.095901 345.178986 139.037186 434.771301 139.074387 183.275208 139.112152 405.913086 145.101105 398.628204 147.115875 577.03949 149.058533 846.97998 151.074173 572.10907 153.090729 306.998108 155.069397 581.615723 157.09935 410.322113 159.08197 199.856003 159.11525 559.776306 161.094543 213.9673 161.132294 604.315674 167.069534 220.448196 169.100983 253.905197 170.106689 191.878998 171.116394 1338.073975 173.096313 177.623001 173.130707 477.690796 175.110016 365.582397 175.14563 173.368607 181.084854 1242.848022 183.116211 269.473206 184.125351 254.212296 185.131516 583.270386 187.110321 683.273926 187.1465 406.580505 189.088745 314.845215 189.128067 507.366699 195.107239 209.343399 197.131546 409.484497 198.140915 320.178986 199.147995 1163.468994 201.12619 1049.516968 201.16246 226.351501 203.105042 319.584595 209.1315 286.174408 211.148376 322.869598 213.125534 383.177887 213.162766 193.034805 215.143494 388.189514 217.159119 561.255676 222.122498 283.047211 222.139282 179.578903 223.145248 257.597809 225.126953 363.671997 225.163071 933.401611 226.131653 208.500793 227.103058 272.257507 227.139572 299.860413 227.178101 315.590302 233.115891 333.592285 235.146057 434.616302 236.154449 214.1521 237.160782 389.628693 238.134216 206.215698 239.144318 342.980499 241.123123 197.132202 243.136246 296.785187 245.117691 328.580109 245.150009 455.878815 247.12944 224.139099 251.144333 238.9328 253.159073 953.542297 254.165268 557.337402 255.172867 430.237213 255.207169 244.641907 259.132202 1735.151978 263.141052 241.496597 265.194611 204.945694 266.130432 229.537704 267.136414 386.402802 269.154938 235.360397 281.152588 1104.749023 283.203857 607.152893 293.19043 271.014893 299.165894 330.243103 311.199677 425.249115 321.220215 250.8255 339.231903 321.633606 343.224579 178.928406 367.223053 400.429504 399.253387 3139.535889 END IONS BEGIN IONS TITLE=CCMSLIB00000081032 PEPMASS=364.257 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B10A27 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081032 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081032 SCANS=1 105.069984 5498.749023 107.08577 16632.689453 108.088821 8965.388672 109.101288 4926.032227 110.105141 3795.237061 113.05999 483.191986 113.094292 690.158813 117.067863 560.443176 118.074478 458.48761 119.084557 1347.270996 120.088089 1541.26001 121.100105 4018.12207 122.104874 3290.457031 123.116318 6967.195801 124.119774 4777.375 125.095016 1541.314941 126.098877 1051.001953 127.074165 474.699188 131.084229 853.66803 132.08728 466.156097 133.1017 3522.141113 134.103683 2474.235107 135.115875 2599.686035 136.12027 3382.758057 137.095795 462.222504 141.090439 1227.026001 142.093445 1487.494019 145.101425 2334.103027 146.106094 2440.821045 147.117157 2507.041992 148.119614 3785.735107 150.135208 649.54657 152.11351 439.035706 153.088913 797.40332 154.096649 481.568207 155.083221 453.5672 156.088272 749.889282 157.097412 433.573395 158.104874 827.569397 159.115799 1641.906982 160.121292 2079.441895 161.132034 1849.083008 162.097366 420.266388 162.135361 1799.385986 163.111771 4647.382812 163.147552 4007.316895 164.115784 4630.020996 164.150528 4316.147949 168.108978 896.325623 173.133499 1312.045044 174.136703 1350.043945 175.107681 611.906311 175.148773 1027.932007 176.116913 1032.079956 176.152267 2503.241943 178.131821 511.833893 181.122025 2328.531006 182.126572 2729.822998 184.118912 654.726318 186.13736 531.177429 187.149841 773.282104 188.119125 526.603577 188.149811 1049.819946 189.128113 494.543304 189.163239 1145.406982 190.167953 2284.843994 195.138794 541.778198 199.148499 462.428589 200.148834 460.348206 201.162674 678.510986 202.131195 521.690125 202.168152 1433.484009 206.124893 789.682312 207.13559 591.111816 208.140778 928.22998 211.148178 420.757599 212.15126 2107.070068 214.170151 518.887878 215.178406 436.028595 216.182404 972.625 219.172684 425.041107 225.1633 431.576691 226.166412 1270.123047 228.180511 596.900879 229.192474 478.498596 230.198853 1139.48999 234.156326 583.595215 243.17627 1063.666016 244.179245 1571.760986 247.170853 993.018799 248.173218 2294.727051 268.21637 1551.926025 285.223724 496.938904 286.223724 2888.697021 303.233887 1530.265991 304.236084 13532.450195 END IONS BEGIN IONS TITLE=CCMSLIB00000081033 PEPMASS=205.195 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B13A01 Faulkner library maybe Tryptophan needs ot be verified [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081033 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081033 SCANS=1 103.053955 26.496019 105.069458 540.69281 106.738037 17.023149 107.085304 3268.856934 107.131905 21.030821 107.180107 22.332689 107.461784 20.173941 108.556618 18.24963 108.59964 19.20437 108.620178 30.860769 108.650398 28.672661 108.718971 16.828939 108.767067 16.69182 109.069183 14.80154 109.101097 14427.879883 109.145302 99.064011 109.161263 22.48457 109.182716 29.653061 109.193314 24.49334 109.205582 14.91274 109.22541 64.770592 109.243309 26.915199 109.272118 17.87785 109.289749 27.851721 109.31263 17.86342 109.321663 33.948872 109.368347 24.59816 109.407394 19.661011 109.41523 15.52035 109.435905 34.936069 109.50341 15.79722 109.570312 17.86981 109.590897 28.61363 110.10527 58.471809 111.116302 119.648903 119.084549 116.9599 121.10096 3362.611084 121.148201 25.385361 122.10569 17.028799 123.116295 3867.675049 123.162315 30.16482 123.178894 23.285299 123.263565 15.89584 133.101379 108.939201 135.116776 6836.195801 135.166855 65.040176 135.186111 20.951611 135.25885 27.86643 135.290253 26.966339 135.315933 14.94415 135.378662 18.591311 135.39122 17.751591 135.526062 15.53379 135.621277 15.54683 135.685379 27.06568 137.131439 144.816498 147.114609 50.049 148.510147 20.44158 149.095016 25.96237 149.132172 6132.299805 149.185165 20.45356 149.201706 23.161169 149.220551 24.866421 149.254837 15.56767 149.320358 20.423019 149.362167 14.53559 149.463058 19.24971 149.474808 18.176001 149.490524 29.07085 149.620071 14.50718 149.652771 17.75293 149.899307 14.49652 163.146851 468.689911 177.163284 14.87063 205.156326 15.04938 205.194702 4048.637939 205.302124 25.056141 205.44664 21.059959 205.572067 17.399981 615.671387 18.66861 1286.655518 17.80933 1297.268433 25.304041 END IONS BEGIN IONS TITLE=CCMSLIB00000081034 PEPMASS=265.216 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B18A04a [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081034 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081034 SCANS=1 101.058891 192.7901 105.06942 678.266113 107.085419 1980.083008 109.064186 124.308601 109.076942 34.920349 109.100815 3442.381104 109.147232 27.658381 109.225037 29.346069 109.24398 28.98167 109.276512 23.179689 109.821426 25.55883 111.079018 135.326996 111.116158 538.096191 113.0597 56.38755 113.095184 26.709841 115.075348 1296.68103 117.068817 120.595901 119.085342 526.802673 121.063103 63.73679 121.100784 1668.208984 123.080193 316.824707 123.116356 3198.658936 123.165207 27.05084 123.304878 24.65744 125.094894 131.157394 125.133171 69.383812 127.074776 199.717804 128.059357 46.707611 129.089355 222.049301 131.084473 241.357803 133.099609 589.39502 135.080017 210.596497 135.115982 1339.353027 137.095673 589.447998 137.131439 1962.724976 137.178497 29.60017 139.076324 62.68795 139.109726 72.217438 141.088928 327.658905 144.091766 61.262772 145.100647 308.310486 147.11557 297.654907 149.095093 323.297211 149.131729 794.082275 151.111603 447.345886 151.146774 658.866577 152.07431 26.179371 153.090073 381.317688 155.105362 558.899719 157.099518 46.272079 158.109253 67.720467 159.115875 605.978516 163.111649 295.018188 163.146286 164.931198 165.124527 234.118195 167.105698 614.977173 169.12236 323.988403 171.113968 27.86009 173.131653 404.950012 175.146271 29.287359 177.12648 555.022827 177.165283 27.426161 179.139084 39.005951 181.121048 863.108398 183.136078 91.859497 187.144135 229.296799 189.164352 262.752411 191.142792 524.80542 195.13623 1258.675049 197.151337 38.093731 201.164536 96.842018 203.178635 176.586594 205.154861 26.305031 205.194901 907.463623 209.152481 840.331726 219.213074 61.5569 229.193909 2026.652954 247.163193 30.134159 247.205444 2980.381104 247.364578 34.278339 247.514847 30.912701 265.098511 25.9785 265.216095 5794.051758 265.284882 56.790562 265.327667 22.7512 265.519287 27.345079 265.546875 24.940121 381.53656 38.146278 END IONS BEGIN IONS TITLE=CCMSLIB00000081035 PEPMASS=253.216 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B12A04 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081035 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081035 SCANS=1 101.058716 40.921329 103.054092 67.518082 105.069542 618.678284 107.0495 93.784683 107.085236 1308.984985 108.056564 52.282612 109.064384 2190.395996 109.100845 5455.803223 109.146332 64.487717 111.080162 596.760071 111.116676 6312.85498 111.160973 45.156971 111.176231 34.835072 113.058968 444.767212 113.094696 148.250397 115.109604 52.339828 119.084984 579.263 121.063911 56.47184 121.100563 2167.153076 122.071823 235.935303 123.080208 6113.617188 123.116493 4458.770996 123.165474 56.687061 123.210342 31.00872 123.232857 48.32877 123.313065 33.21841 125.095787 4850.915039 125.131432 821.898682 127.075035 2275.951904 127.110191 58.542149 129.129898 38.530399 133.101532 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54.659939 253.615234 37.481972 253.668488 44.118061 253.703049 31.807199 253.765152 46.28587 253.880981 32.43269 END IONS BEGIN IONS TITLE=CCMSLIB00000081036 PEPMASS=252.103 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=Ethyldibromo_dimethylaminopropyloxy_cinnamic [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081036 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081036 SCANS=1 103.052505 26.28441 104.047935 19.614149 105.032791 60.525299 115.053482 44.95961 128.047333 22.469379 140.069794 43.364811 174.053543 49.76976 179.083359 17.43276 206.095093 145.445908 208.107819 18.325239 234.089905 46.444408 252.101959 419.397003 252.176315 38.570179 END IONS BEGIN IONS TITLE=CCMSLIB00000081037 PEPMASS=274.084 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=Ethyldibromo_dimethylaminopropyloxy_cinnamic [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081037 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081037 SCANS=2 112.07515 898.290222 154.086365 21.839861 162.066574 29.780849 210.185486 11.26752 274.083344 190.922607 274.157379 308.194 274.267181 25.34816 END IONS BEGIN IONS TITLE=CCMSLIB00000081038 PEPMASS=525.179 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=Ethyldibromo_dimethylaminopropyloxy_cinnamic [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081038 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081038 SCANS=3 112.074257 15.02518 183.023483 15.34223 272.473755 10.7217 272.641907 14.90197 274.045074 10.79872 274.083557 2615.874023 274.149597 21.167761 274.165344 12.85154 274.221313 11.21781 274.323425 13.01674 274.411804 13.06377 274.452881 13.91013 301.193756 10.86261 399.182648 10.31334 525.295166 15.34953 525.340271 34.824532 END IONS BEGIN IONS TITLE=CCMSLIB00000081039 PEPMASS=289.113 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B28A19 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081039 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081039 SCANS=1 117.909332 141.349396 118.908691 2729.787109 118.922752 14.99608 118.955498 15.4585 119.925514 314.11441 120.924225 7611.513184 120.970665 46.28833 120.987488 18.430651 121.001434 10.87201 121.055008 10.52304 121.066475 10.55369 121.196907 12.37156 121.29039 10.81474 132.901154 11.76708 132.919052 11.48245 132.924789 88.484962 138.933502 19.825171 146.938812 92.738388 158.994644 11.95437 173.968918 19.23135 174.970596 557.621887 175.986542 187.817093 176.986771 5790.368164 177.044418 34.92445 177.110657 11.76146 177.145264 11.04208 177.16272 15.51384 177.22226 12.27179 177.248917 13.7728 177.359268 13.54708 187.068741 10.27918 233.049606 477.292603 289.180359 32.04932 END IONS BEGIN IONS TITLE=CCMSLIB00000081040 PEPMASS=422.328 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B21A21 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081040 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081040 SCANS=1 105.069633 1519.32605 106.039093 157.308807 107.08548 12614.089844 108.055573 615.071411 109.101097 13841.230469 109.146019 173.190002 111.116508 1392.189941 119.085274 2914.131104 121.101074 12706.110352 123.065697 385.462006 123.11657 6469.716797 125.132431 780.986084 133.050491 1239.786987 133.100723 1340.885986 135.116455 6361.021973 137.132095 1484.998047 147.116364 1210.265015 149.131989 7397.347168 150.077515 156285.40625 151.147583 519.467529 161.131668 775.780029 163.147461 3063.201904 175.146942 483.669403 177.163376 2249.816895 179.178223 211.835999 189.163498 1075.57605 191.178665 852.512024 203.178864 1098.452026 205.194717 1914.977051 217.194565 1399.05603 273.257233 2245.076904 354.26236 185.380295 422.328156 56716.761719 END IONS BEGIN IONS TITLE=CCMSLIB00000081041 PEPMASS=531.409 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B27A19 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081041 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081041 SCANS=1 105.000389 1138.902954 105.046928 11.46549 111.116051 138.442596 113.039429 10.11691 113.132103 64.432137 123.010139 173.836105 125.127693 12.90353 127.148483 30.73875 159.00972 24.37385 167.176346 29.138399 169.192337 71.954376 175.08075 11.08705 241.212021 21.036461 263.117798 17.065041 273.185913 148.886993 291.195831 115.098 345.208618 232.2323 531.32428 37.44297 531.368958 33.81073 531.405151 776.499023 531.510803 32.17374 531.713257 15.03474 532.040649 12.75219 532.26062 15.06878 END IONS BEGIN IONS TITLE=CCMSLIB00000081042 PEPMASS=185.955 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B19A14 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081042 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081042 SCANS=1 107.037422 17.042471 116.430267 12.35043 116.933113 786.872986 117.328804 11.31944 130.948181 136.946793 145.120865 11.89594 157.959534 268.563599 185.954254 1240.954956 186.060394 20.55475 186.108475 12.85509 END IONS BEGIN IONS TITLE=CCMSLIB00000081043 PEPMASS=285.222 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B16A06 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081043 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081043 SCANS=1 103.054024 656.245483 105.069969 20119.349609 105.113503 43.569752 105.272232 39.12001 105.296074 28.76156 105.368065 25.263691 109.064613 77.468018 109.100838 1223.807983 111.115692 82.837997 115.053566 73.038483 116.061882 51.145611 117.069496 159.189606 119.08522 1924.727051 121.064056 87.293732 121.100937 3050.746094 121.148857 30.482809 123.078773 48.19537 123.116341 706.42572 127.051872 30.58152 128.061813 166.875305 129.069244 187.977402 130.076508 59.219769 131.08493 547.962708 133.100845 437.194305 135.079529 53.08469 135.116562 714.760071 137.093979 37.2318 137.131958 269.787994 141.069595 78.544609 141.125488 43.22337 142.077255 297.687012 143.084915 655.189514 145.065933 34.238461 145.101013 821.284912 147.079117 136.386002 147.116714 220.533295 149.095612 113.196198 149.131119 163.760895 151.146774 30.602751 153.068436 56.41761 153.126343 84.929741 154.076843 74.978783 155.085037 198.161804 156.093216 208.452103 157.10083 2163.013916 159.079605 35.601101 159.115982 420.876007 161.097992 40.82048 161.131897 1439.593018 163.109848 32.755428 163.146606 131.576904 167.083893 90.063454 168.093079 84.337753 169.100983 924.448914 171.116333 1214.302002 173.132233 88.033379 175.110138 29.89175 175.147156 135.608307 177.127411 92.383377 179.14238 804.469788 181.099335 53.253109 183.116348 560.900574 185.095825 59.55703 185.131775 420.247986 187.148239 69.637489 189.162247 69.307182 197.131653 363.255005 199.14769 75.172127 200.118774 91.896202 201.125946 49.770329 201.163132 92.838074 203.13974 41.923969 209.131912 58.23505 211.148331 631.837585 213.160416 89.674881 224.153946 33.744801 225.164398 171.556305 227.17923 3408.009033 241.189713 86.953033 243.173737 495.213989 243.210098 71.28315 257.226135 190.126801 267.210297 1577.182983 285.220917 1711.577026 END IONS BEGIN IONS TITLE=CCMSLIB00000081044 PEPMASS=345.243 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B10A28_9_Acetoxydolabellatrien_16_al [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081044 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081044 SCANS=1 105.069847 10475.009766 107.08567 9068.401367 109.064468 1558.237061 109.101082 7189.187988 111.080971 855.664429 111.11631 317.196411 113.059044 581.340576 117.069557 3527.310059 119.085571 7122.52002 121.064919 845.050476 121.100967 8117.98291 123.079582 795.060425 123.116684 2808.443115 125.094887 554.878479 128.061081 428.40329 129.069672 2098.089111 131.085342 8293.81543 133.064178 330.066101 133.100708 6483.050781 135.080002 2051.406982 135.116577 4293.883789 137.094925 682.2948 137.132446 4199.741211 139.111588 361.244507 141.069092 695.651611 143.08548 4675.975098 145.101151 9056.331055 147.080261 1041.073975 147.11673 7676.038086 149.096085 2138.156006 149.132172 2200.062012 151.109802 403.547699 153.089584 424.721405 155.085144 3921.49292 157.101593 6062.524902 159.116379 8041.541016 161.096008 972.261414 161.132141 3959.913086 163.111588 1117.332031 163.148193 1272.358032 165.127304 345.497803 167.104767 576.510681 169.100494 5328.315918 171.11676 6504.462891 173.09639 1047.863037 173.132202 5944.490234 175.111511 1333.772949 175.147888 3844.518066 177.127197 1099.22998 177.162598 541.785583 179.141235 749.465271 183.116409 5513.266113 185.13205 7835.720215 187.111282 1147.340942 187.147964 5578.708008 189.126877 793.385071 189.163513 3440.099121 191.142227 836.06897 195.117157 447.254608 196.125458 462.493805 197.132324 4079.560059 199.147903 4404.673828 201.126648 1323.489014 201.163574 5081.97998 203.142883 1830.573975 203.179459 402.058197 205.158569 665.232971 209.131577 500.387512 211.147842 7757.958008 213.16304 1245.368042 215.141617 908.353699 215.178207 2153.062988 217.156494 845.974426 223.147003 441.273987 224.155502 986.771729 225.163483 4472.650879 227.179733 9363.476562 229.158447 4689.089844 239.178223 966.18042 241.194565 3743.23999 243.173996 1286.125977 243.210251 757.462585 257.190552 585.762085 257.226685 1691.384033 267.211029 6654.934082 285.221436 8532.875 287.199097 350.030304 303.233643 2338.449951 345.241425 6953.188965 END IONS BEGIN IONS TITLE=CCMSLIB00000081045 PEPMASS=208.133 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B13A22 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081045 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081045 SCANS=1 105.033279 522.818787 107.048882 1621.149048 109.024689 22.00057 115.050621 83.652473 124.086853 23.83692 135.044159 524.423584 135.080154 836.143372 135.41658 21.007389 163.074371 103.639603 180.135025 38.918591 206.118561 30.58102 206.97644 33.229568 207.072205 30.33095 207.195068 18.885509 207.762695 64.799423 208.075348 72.70591 208.09787 116.154602 208.133347 18333.330078 208.170258 42.3661 208.332764 25.40909 208.364792 20.36231 208.37738 24.984381 208.39209 31.615471 208.407211 23.83717 208.419174 54.43808 208.460953 22.7381 208.477631 35.37664 208.497955 26.064421 208.5495 23.145439 208.56189 32.23053 208.633438 25.355221 208.650009 18.49197 208.709915 21.38402 208.785385 27.109171 208.808731 32.399639 208.83783 20.68594 END IONS BEGIN IONS TITLE=CCMSLIB00000081046 PEPMASS=252.103 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B15A04 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081046 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081046 SCANS=1 103.052505 26.28441 104.047935 19.614149 105.032791 60.525299 115.053482 44.95961 128.047333 22.469379 140.069794 43.364811 174.053543 49.76976 179.083359 17.43276 206.095093 145.445908 208.107819 18.325239 234.089905 46.444408 252.101959 419.397003 252.176315 38.570179 END IONS BEGIN IONS TITLE=CCMSLIB00000081047 PEPMASS=440.345 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B21A03 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081047 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081047 SCANS=1 105.069893 260.561005 107.085571 2563.836914 109.100739 2546.881104 110.034843 834.000305 119.08532 249.926193 121.101059 2080.821045 123.065933 631.400391 123.116776 3057.864014 124.05027 1298.370972 125.069595 455.671112 127.06105 238.201004 133.050339 545.113708 135.116562 1379.968994 137.045502 702.839905 137.131882 1088.456055 139.084915 1948.161987 140.093094 27156.960938 141.076324 244.386398 149.132141 1134.025024 150.077362 9858.118164 152.092651 1993.978027 163.1483 308.88089 166.072037 2185.437988 168.088135 73356.273438 180.087738 2199.312012 205.194916 209.575699 236.149155 273.373688 248.148895 194.317001 304.213287 433.208191 316.213654 1284.98999 358.258606 380.429688 437.687195 178.2379 437.730713 167.593994 440.33963 164107.90625 END IONS BEGIN IONS TITLE=CCMSLIB00000081048 PEPMASS=341.212 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=Smenochromenes_C [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081048 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081048 SCANS=1 105.069572 1198.142944 107.085281 4397.077148 109.100662 1034.411011 117.069885 160.075394 119.047913 193.389099 119.084801 1259.727051 121.064293 85.904846 121.101418 762.497986 123.116035 374.41629 125.058662 523.641479 131.051102 87.200661 131.084335 463.947296 133.065109 145.748093 133.100739 721.600281 135.115692 768.841003 137.058975 236.974899 138.028549 119.979897 139.03804 138.425201 140.045029 88.920593 143.047531 85.094116 145.064789 360.252289 145.100784 1026.145996 147.043304 445.034302 147.115707 471.017395 149.132217 133.402802 153.054352 8412.754883 158.109634 123.284401 159.040955 155.910904 159.078735 139.9897 159.116028 776.875183 161.059326 1426.672974 161.096115 131.6875 161.133224 512.766479 163.074203 115.292801 167.069458 907.950684 171.078949 103.033501 173.059662 961.480713 173.130707 344.453003 175.073273 307.179199 175.148071 1048.86499 176.045395 97.425102 177.054108 371.486908 177.089417 220.071701 177.164978 95.3218 179.070709 267.84021 185.05896 91.368507 187.074158 484.365387 187.147064 87.583366 189.056488 87.83358 189.091354 263.098999 189.163132 789.537109 190.062622 255.140305 191.069946 2056.687012 191.103378 211.102203 193.085541 1926.293945 199.07399 218.923904 201.090088 163.508896 201.163239 625.581299 203.072815 121.229599 203.106033 147.920593 204.080002 131.023407 205.085175 924.719177 207.103989 137.799698 209.096085 190.672394 211.076492 235.928299 211.112122 91.316147 213.089279 245.619202 215.105469 281.241394 215.177811 90.275543 217.085083 522.226379 217.118484 124.939201 219.101044 721.075012 223.109512 90.760712 225.089935 239.536499 225.129608 104.834198 227.106766 237.617401 229.086716 94.790497 230.096252 124.525398 231.099854 275.417694 233.119629 171.223602 239.10173 128.308899 241.122864 125.376198 243.104355 104.1847 245.11467 260.756012 247.131821 663.999512 253.120621 161.662796 257.117004 164.355698 259.132172 173.422104 261.146851 165.178604 271.135986 102.439003 273.150757 85.876221 285.146454 328.444794 285.216125 86.204201 309.18222 98.778023 341.211884 502.177002 END IONS BEGIN IONS TITLE=CCMSLIB00000081049 PEPMASS=524.266 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B26A13 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081049 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081049 SCANS=1 112.07534 244.199799 113.058456 94.062897 119.085823 239.639801 120.081848 135.319504 121.064392 129.420105 124.074463 97.443024 125.057846 117.129097 135.080185 736.17627 138.090195 80.099083 147.078262 95.826508 147.112717 79.429611 148.074081 99.163177 150.090332 175.559998 153.054459 248.262497 157.100845 104.582497 159.079178 146.9552 161.083878 242.126801 162.090866 688.140015 163.074326 123.420403 164.106644 627.763184 165.08812 80.097603 173.094452 113.374298 175.109451 90.95163 176.105179 123.646301 185.09433 95.016197 187.109543 131.486206 188.103882 135.315399 190.123138 286.934998 191.128525 448.932404 192.137451 334.564697 199.112503 92.086182 202.120331 121.378502 213.124954 171.963196 216.137573 81.468803 218.119934 85.781326 220.130478 114.187202 223.107773 80.766724 227.106567 95.219017 236.135223 91.494011 237.136566 262.657288 238.144165 106.0924 241.120895 126.636299 242.152649 77.643471 243.137909 132.7715 251.107468 78.959869 256.13443 101.531502 258.110382 106.261703 259.132019 159.119904 260.12735 93.572647 263.146484 109.314499 269.116913 142.710403 271.126495 90.986549 274.144836 98.620033 276.119171 125.403999 277.156342 98.408089 285.146606 154.3116 286.141327 148.3526 287.13031 245.779297 314.130707 93.652321 314.175354 79.667068 342.167358 192.209396 360.183502 151.4776 376.186798 95.383476 388.174133 569.886475 396.2117 107.419502 404.22171 118.2425 408.220093 81.609154 422.231476 360.76709 432.214966 96.273842 446.230286 91.603661 450.226837 2004.373047 460.250732 116.457397 464.245209 97.232399 478.256134 1056.650024 494.24646 177.142593 506.249634 201.832397 520.853149 80.703827 520.910645 91.338989 520.972656 79.209709 521.01062 76.060623 521.094482 106.914101 521.223083 108.366203 524.168579 83.563011 524.264832 53178.421875 524.690491 279.769287 524.736023 98.452492 524.78009 87.046806 524.821228 77.642517 524.867859 140.473099 524.961975 125.577301 525.006714 91.407494 525.073303 85.299133 525.345581 117.617699 525.429626 123.503197 525.602417 103.472801 END IONS BEGIN IONS TITLE=CCMSLIB00000081050 PEPMASS=356.237 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B21A17 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081050 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081050 SCANS=1 105.070473 117.900597 107.08551 339.573608 109.101036 302.641815 110.026627 868.713013 121.100182 715.237122 123.117905 109.4674 134.038269 353.346497 135.022003 4763.457031 137.132294 181.559296 149.131927 247.764496 152.018204 129.6586 152.048859 99165.09375 152.490906 105.6726 153.050079 708.270813 356.236725 19305.390625 END IONS BEGIN IONS TITLE=CCMSLIB00000081051 PEPMASS=419.28 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B28A22 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081051 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081051 SCANS=1 105.069794 3892.284912 107.049126 3149.594971 107.085342 5026.692871 109.064751 397.150299 109.101463 45006.300781 111.080017 388.212189 113.058777 412.563385 117.069366 969.923096 119.085335 2904.970947 121.064316 1521.006958 121.100998 4449.770996 123.043755 876.989014 123.079803 708.02887 123.116798 1849.465942 125.059555 626.373108 125.095779 533.120117 127.111694 13456.25 129.069473 880.809875 131.085388 3958.092041 133.06424 1262.371948 133.101028 2245.961914 135.044891 382.126495 135.079651 810.401306 135.116425 1969.296997 137.096115 956.06427 139.075485 508.823914 139.110855 1500.237061 143.085388 1568.906006 145.101059 2628.86792 147.080032 1446.530029 147.116318 1395.109985 149.059891 1143.275024 149.096039 702.419617 149.131714 1818.927002 151.074829 1409.360962 151.111343 697.313782 153.126389 622.372803 155.106323 2363.736084 157.100693 1548.828003 159.079773 3666.760986 159.116364 1332.146973 161.131912 1485.470947 163.075317 497.187714 163.11084 485.950989 165.090836 545.67749 165.126617 833.467896 169.10054 515.108276 171.080032 766.059692 171.116272 1517.727051 173.095276 888.294312 173.131531 1477.238037 175.074173 341.982086 175.147629 2229.208008 177.090851 3959.425049 177.161972 485.209412 183.11644 924.742981 185.095108 614.280518 185.131989 3210.873047 187.147736 978.299683 189.091019 531.328491 189.164474 484.509613 191.106079 783.005188 193.15712 498.68161 195.116379 643.54303 197.131363 556.681885 199.111023 614.477173 199.148056 1240.25 201.127396 409.871002 201.163437 1156.037964 203.105896 349.717499 211.111115 359.595612 211.169357 2361.701904 213.126831 4089.308105 213.162216 766.361816 217.121933 1379.493042 219.172974 399.760712 225.184235 789.498718 227.142441 1095.935059 229.158157 543.57373 231.137772 2241.384033 231.173706 652.939819 235.132446 402.629303 237.184723 3407.849121 245.153076 1619.459961 249.147888 454.698395 249.184738 2719.304932 259.205811 350.308502 277.215057 1262.313965 323.237213 541.827881 337.250122 544.498779 341.246674 1436.947998 355.262726 2017.224976 365.246979 4060.424072 383.258331 30684.189453 401.268921 9344.289062 419.279694 21196.160156 END IONS BEGIN IONS TITLE=CCMSLIB00000081052 PEPMASS=403.285 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B11A02_palavolol [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081052 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081052 SCANS=1 105.069389 487.551086 105.146332 37.370609 107.085091 468.318207 109.10054 683.232117 109.372192 33.027439 110.331139 33.13636 111.043961 328.755188 114.023842 75.334877 117.072357 464.011292 119.084442 104.960197 120.199974 39.112499 121.102913 215.125 123.039322 94.520157 123.114052 445.314301 123.161552 36.779411 123.170067 36.321812 123.475258 30.19853 124.119965 188.012497 124.870766 40.102268 125.910843 43.84808 127.036461 142.401703 131.083435 27.471149 133.101379 359.273804 135.07756 75.232689 135.089554 79.330879 135.115219 299.491791 135.178268 29.04545 137.131042 533.005981 139.117615 93.05896 139.368271 66.840057 139.445023 67.71627 141.073669 110.4515 143.085297 516.639526 145.099182 310.733307 147.081726 31.605 147.113495 140.026306 147.487885 58.53125 149.133728 346.752014 149.729507 50.537788 151.072174 38.375 151.108841 82.026161 151.151138 160.091904 157.099716 241.460907 159.077225 44.520828 159.112122 58.25 160.546951 35.625 161.054489 179.066406 161.12944 351.266388 163.092377 145.104401 163.145615 225.890106 165.086044 51.240379 165.163208 123.157898 171.074112 35.907261 171.115997 148.266403 173.132996 334.349213 175.07486 263.414215 177.159866 131.331406 177.241135 32.26667 178.166061 248.216293 185.129578 247.490097 187.145508 54.14286 189.091843 401.775208 189.159576 89.196426 191.173874 60.007351 191.427292 31.6875 193.083862 138.810104 195.11615 255.112106 195.176437 53.226849 199.116943 121.195801 203.106628 154.446701 203.175995 108.225601 205.119873 103.724998 205.196259 72.29657 205.602264 58.920921 209.132294 109.633797 211.149582 52.46944 213.125473 77.30867 215.184601 263.375 217.118622 123.117699 219.094772 117.224998 221.184387 34.530659 231.139725 53.975811 233.116699 37.83696 237.133057 114.085602 241.189621 41.884621 242.823639 32.414219 252.911987 35.765629 269.154877 75.625 269.187073 69.189392 289.178894 98.205093 303.18689 62.0 308.250793 116.367599 329.211487 44.00338 333.206146 149.085602 349.244751 33.926281 365.287292 33.08654 367.267975 175.972702 385.270508 317.360107 403.280212 30.01087 1233.977173 35.841221 END IONS BEGIN IONS TITLE=CCMSLIB00000081053 PEPMASS=335.258 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B04A33_1 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081053 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081053 SCANS=1 101.02195 28.427219 109.09819 42.11581 111.079453 10.00595 121.065628 50.76683 121.097008 47.183979 122.067719 63.537498 135.080383 97.113426 135.115036 66.986893 137.130295 17.39126 149.06546 17.9401 151.076904 47.05238 151.149506 21.87792 153.098648 71.418297 153.127823 44.279129 163.076828 17.460939 163.112259 30.346149 165.126068 51.600441 167.065231 43.958778 168.077301 83.498299 177.090912 62.045319 177.126938 20.803329 178.07077 12.80952 179.071014 35.44006 181.085739 61.52578 191.099274 18.790211 195.102905 16.529091 205.116776 49.82143 208.108093 61.476299 275.197845 21.695419 317.249481 23.04537 333.065643 11.83452 333.309113 12.2598 333.335846 10.72941 333.399902 25.17787 333.438965 20.18627 333.744629 10.92708 335.257782 4093.378906 335.340759 25.484051 335.435364 76.082779 335.469238 10.08333 335.507996 12.31323 335.534912 10.64103 335.558838 84.85891 335.598297 27.414049 335.627441 38.975719 335.700256 25.89422 335.7453 12.21528 335.805634 15.15218 337.349243 13.80682 437.454315 15.00076 END IONS BEGIN IONS TITLE=CCMSLIB00000081054 PEPMASS=463.285 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B08A03_not_named [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081054 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081054 SCANS=1 105.068443 16.133329 107.083847 64.722183 108.088638 30.352989 109.028496 13.85294 109.614532 10.53088 110.027733 16.72805 117.03141 25.2768 121.100426 18.10104 123.115082 55.150742 133.066116 11.66483 135.08194 14.24681 135.431046 15.81951 151.115707 14.28994 153.067383 16.057671 161.060303 90.839432 163.074844 191.208603 163.115326 22.416031 163.156372 43.16555 173.061157 24.527451 173.096344 17.41818 173.130661 81.29557 175.070999 17.84083 176.07692 26.928181 177.087479 44.724998 183.079224 23.379829 183.114578 71.117844 187.07634 11.20061 187.112 30.62384 187.14534 11.12819 193.089203 10.57045 197.134613 39.77969 199.15155 44.158329 201.085434 24.97254 201.139465 12.48133 205.156525 39.858471 211.106491 21.85833 213.089325 29.543779 215.103592 117.921898 217.126984 60.206451 223.147568 27.77895 223.198685 10.00051 225.09494 11.38026 226.098358 21.57357 229.123123 21.10424 237.118378 12.75577 239.103775 173.172699 239.137741 10.08421 241.155869 18.514999 242.154816 28.893511 243.100372 274.969391 243.135132 44.019272 243.244888 10.04464 243.536774 12.40336 243.830734 13.18934 247.127151 21.84 253.120285 26.39201 255.140991 34.714981 257.112061 19.568859 257.127075 76.23082 257.143982 10.11368 258.197266 18.649 265.566101 14.47234 267.133423 23.47641 283.199951 13.97812 289.131714 17.11117 293.150848 72.589813 295.16925 49.831459 295.199738 17.525949 305.150299 59.642391 305.692017 10.36409 307.167084 55.192791 307.931396 10.95238 308.170776 27.20019 310.18988 16.95392 333.189636 16.82424 347.275024 19.259371 353.219116 20.712931 353.244293 32.619289 354.748566 10.48989 359.205994 24.86154 362.233551 11.225 388.233337 27.13389 395.355804 24.901039 417.283936 14.45098 422.280945 11.93426 427.254242 50.836418 435.275604 10.36296 445.128235 32.361099 445.268555 214.593506 445.282898 28.424999 445.58316 16.115721 463.28125 84.206467 463.425873 56.62112 533.772705 11.03645 END IONS BEGIN IONS TITLE=CCMSLIB00000081055 PEPMASS=203.18 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B02A01_1 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081055 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081055 SCANS=1 104.646225 4.44079 104.662605 18.044359 104.75013 23.408541 105.069931 1327.187012 105.102165 2.672619 105.113213 9.764423 105.123749 7.656609 105.262283 21.125 105.419868 10.33333 105.46563 13.22685 105.578865 4.333333 106.443855 15.70014 106.462273 11.3344 107.085655 189.169495 107.117699 3.671296 107.260345 2.449074 109.096214 61.259171 109.102829 54.258511 109.207176 4.351191 109.753159 8.920045 118.075996 8.962963 118.504776 8.027778 118.617134 14.64844 119.084984 447.580505 119.16713 7.805555 119.558815 4.898148 119.82119 10.0121 121.104668 65.473488 121.137863 1.680555 123.118645 66.817062 129.067169 10.78241 131.084152 36.117981 131.091537 71.666656 131.493134 3.802778 131.824493 7.34248 132.093582 36.935421 133.099304 203.209305 133.15387 2.005952 134.692474 23.511669 135.112061 30.789391 145.102081 173.774902 147.11853 389.802612 160.123245 49.658451 160.131989 4.760417 160.308289 5.669872 161.134018 43.836739 161.624786 10.17339 171.18071 3.802778 188.153793 34.5812 201.155457 48.969372 END IONS BEGIN IONS TITLE=CCMSLIB00000081056 PEPMASS=485.411 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B13A32 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081056 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081056 SCANS=1 100.039551 168.7397 100.107552 11.85366 105.069717 10.05344 107.084984 198.807205 107.421005 13.77214 109.061554 15.98904 109.100655 205.740402 111.115341 82.365242 111.250832 16.220051 119.086601 14.00777 121.100494 122.624298 123.116669 104.073097 125.092957 59.4496 125.130135 21.710899 133.100693 77.366119 135.117462 42.559261 136.121277 30.378731 137.135498 22.78927 138.129913 29.03306 147.116608 198.056793 149.13118 185.572601 151.10788 15.56694 161.127701 12.66447 162.279129 12.2598 163.148254 528.770081 163.155457 21.78698 163.28981 10.36227 168.139618 13.51014 175.14566 67.246674 201.898788 10.71075 202.163467 11.58929 203.178436 1017.08197 203.336426 12.70937 203.569824 10.03472 203.581635 12.60609 205.196228 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MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B09A16 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081057 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081057 SCANS=1 105.070114 1958.380005 107.085876 1343.734985 109.101456 1884.488037 111.079918 288.4104 111.116776 275.37851 113.058647 650.398682 119.085632 17971.189453 121.064423 156.940796 121.100708 5879.01709 123.080956 151.967499 123.116905 630.764099 125.059547 201.321899 127.074425 411.218811 129.057327 493.197906 131.066635 158.791794 131.083862 323.65509 133.100327 1235.604004 135.08046 452.041504 135.116043 1362.921021 137.131424 1346.573975 139.075241 305.568512 143.070618 362.645386 143.080978 444.814087 145.100906 1516.593018 147.078323 148.457199 147.115509 945.424988 149.095322 221.358795 149.131836 899.475403 155.069199 273.248505 157.063248 573.171021 157.099899 636.887085 159.08197 209.723999 159.115433 781.142578 161.096359 179.774307 161.132294 839.804688 163.146286 654.70282 165.090576 185.312698 167.107605 381.035706 169.086273 394.484192 171.079498 459.357788 171.115799 1233.295044 173.09523 624.547913 173.131409 776.933777 175.07251 271.106415 175.109177 139.246307 175.147415 1918.930054 177.09111 593.489807 177.16333 1180.531982 179.107239 622.052124 181.083328 225.796906 181.121185 210.224106 185.132996 1138.365967 187.147964 550.622009 189.089172 322.786987 189.125595 366.503387 189.163513 4370.789062 191.105652 1237.368042 191.179779 623.603271 193.121338 461.445892 195.105499 294.987488 199.147003 736.802612 201.164017 402.226196 203.105927 352.135712 203.142715 663.60437 205.121185 591.212708 207.138992 957.445129 209.115707 145.107498 209.130676 387.064514 211.141525 172.9375 213.128326 169.376495 213.161911 660.912781 215.140839 199.754303 215.178314 784.403992 217.121124 367.569092 217.152649 205.368607 217.19371 1032.746948 219.136597 634.909912 225.145859 303.283813 227.143738 798.10791 231.137451 1516.083008 233.1521 138.486893 239.17804 416.150391 241.156418 759.562805 241.19548 3335.028076 243.173599 181.402206 245.152847 2065.823975 255.172226 215.269104 255.209869 818.111084 259.169769 808.05542 259.206299 226.147507 265.193817 266.935394 273.185608 231.783401 283.204132 411.947815 289.218353 415.392609 301.216278 7823.100098 319.226715 4611.369141 END IONS BEGIN IONS TITLE=CCMSLIB00000081058 PEPMASS=311.258 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B23A11 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081058 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081058 SCANS=1 101.05986 29.058081 105.069077 175.575394 107.084976 505.442688 109.064499 91.447006 109.100822 2146.802002 111.079849 113.665199 111.115456 221.439804 113.058456 72.323891 113.096184 634.167603 117.068031 58.953018 119.084862 181.664307 121.062103 43.24704 121.100922 790.74408 123.079353 136.628204 123.115974 1164.733032 125.057793 30.51795 125.095207 671.031616 127.073822 59.725929 127.111023 363.3703 129.068085 40.277302 131.083466 124.267197 133.101517 252.149994 135.079849 88.842773 135.116318 471.500488 137.096298 92.240158 137.132431 440.17041 139.111633 415.552094 141.090378 69.117088 141.126938 747.137878 145.100769 112.262497 147.11554 200.410797 149.093964 83.921402 149.131134 278.203491 151.109238 21.583229 151.147705 116.969902 153.089233 19.83116 153.125778 141.388107 155.105148 140.8992 155.141113 79.041382 159.114731 124.528397 159.135117 23.781321 161.13205 231.593903 163.112091 120.8508 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293.237762 43.505379 311.222565 23.476669 311.257782 798.616577 END IONS BEGIN IONS TITLE=CCMSLIB00000081059 PEPMASS=295.263 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B12A21 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081059 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081059 SCANS=1 103.05542 16.211639 103.379837 12.68333 105.069946 136.336807 107.085289 442.28949 109.100609 451.968689 110.904953 11.73737 111.079926 694.102173 111.116699 2008.244019 111.302841 15.22954 111.36219 10.5745 111.781212 12.67943 113.058739 114.4767 113.094543 79.087196 113.135323 12.66025 115.11039 326.718597 115.142296 12.00214 119.084755 94.4786 121.100937 1131.978027 123.115547 520.57019 125.094513 82.265488 125.132393 658.570374 127.111137 74.975616 135.116516 565.410278 137.059311 14.26852 137.094055 18.43038 137.1315 312.120087 138.105881 16.007521 139.111282 375.249207 139.145935 26.801081 141.126099 14.07664 147.118698 14.8586 149.130432 314.277008 151.1465 256.990509 153.125656 45.766541 155.105133 125.200302 165.124802 18.480339 165.163162 33.806221 167.142487 21.02474 175.091934 17.036819 179.178482 16.845739 181.194992 16.386629 183.137375 19.74423 189.160507 22.51092 191.178986 887.183472 203.178497 16.27767 209.189545 3211.095947 209.251633 20.444901 209.269165 10.08189 209.337967 10.66395 209.469955 10.59454 209.509003 17.83663 209.556427 13.29134 209.636368 10.62408 221.222961 21.2593 239.235489 10.33775 259.242035 26.771351 277.217346 11.49131 277.252838 83.78688 295.261292 274.535706 END IONS BEGIN IONS TITLE=CCMSLIB00000081060 PEPMASS=499.303 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B04A16 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081060 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081060 SCANS=1 105.069481 104.136398 109.100891 488.338715 113.097198 70.10231 119.084854 524.472229 121.102852 61.429451 123.079422 161.366898 123.114372 79.721169 125.056107 173.874496 127.074905 1940.128052 129.089859 89.060753 131.082138 67.519073 133.100586 363.327911 135.079514 70.390732 137.097458 122.901001 137.129959 53.253471 139.074432 221.683899 141.090744 53.80529 145.100662 931.910522 147.11676 270.927399 149.097321 90.476692 153.089355 146.121307 155.106445 62.872292 157.10173 76.881157 159.115662 911.410583 161.094818 55.036739 161.131302 353.100891 163.14798 121.838898 165.124802 71.333366 171.115814 350.666595 173.131088 252.223907 175.112198 136.666 175.144226 56.52718 177.085251 95.211647 177.1642 111.419998 179.106537 132.074997 179.142578 226.382401 181.121124 55.711601 183.115997 435.374115 185.132263 666.101318 187.11055 89.515327 187.147385 356.552399 189.125 68.582367 189.162399 345.903503 191.105408 69.074478 199.111984 78.940903 199.146423 326.20871 201.163239 14219.110352 201.222366 66.62841 201.442383 50.50964 203.105759 50.500511 205.158585 211.923401 207.135727 83.834938 209.12912 52.97657 213.128494 140.823196 213.161819 227.025497 215.14296 101.058197 215.179367 108.5746 217.1203 52.605949 219.138733 221.158096 219.17244 221.836395 225.161789 104.568497 226.163544 60.54314 227.141541 107.669998 231.132599 51.764542 239.17775 157.298706 241.159195 88.227348 241.194534 1364.350952 245.152344 327.257294 255.209854 1490.686035 257.223206 70.854446 259.169281 84.073868 259.201233 70.609329 261.187012 63.015221 265.194458 105.987198 273.182709 75.478348 273.22052 415.91391 283.206177 1212.219971 301.214508 3592.585938 315.231995 1282.017944 333.238892 324.05661 337.212494 4989.926758 343.228088 185.084396 355.226288 58.90126 397.110474 67.79612 397.235107 25752.269531 397.586761 65.162621 397.629242 110.999199 397.723267 87.117172 397.773163 88.623497 397.813477 83.379387 397.897461 92.848396 397.966522 60.546551 398.018982 134.9729 499.300629 902.210815 END IONS BEGIN IONS TITLE=CCMSLIB00000081061 PEPMASS=633.069 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B19A02 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081061 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081061 SCANS=1 106.063942 45.540039 110.071251 70.239983 122.071289 120.781502 134.070099 124.071198 136.086456 222.625595 146.06987 181.796005 147.078415 65.500603 148.086456 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592.813599 462.133392 666.249329 474.097839 172.511902 488.112 52.45612 550.017273 283.953003 574.008301 32.01088 628.898743 47.640251 628.979797 32.180141 629.045959 44.161221 629.086121 31.127501 629.182922 38.694988 629.306885 31.09927 633.067688 19878.25 633.282043 29.03451 633.351929 30.352079 633.413513 165.603607 633.455994 46.12775 633.488342 179.093002 633.555298 44.757881 633.648743 131.285507 633.725281 63.80069 633.781067 116.323898 633.819397 32.589981 633.855774 108.158798 634.200562 104.915703 634.527222 34.209949 635.416504 33.68441 END IONS BEGIN IONS TITLE=CCMSLIB00000081062 PEPMASS=271.087 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B27A17 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081062 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081062 SCANS=1 115.053856 387.097992 116.049507 191.707703 140.048737 544.179993 167.060196 570.041321 189.069244 812.815674 190.065155 406.6698 214.064377 426.131012 215.072418 1376.104004 216.080658 3679.114014 226.064682 211.237701 241.076096 762.888916 242.083801 13756.349609 244.078064 184.303497 253.075348 148.862793 269.070709 200.835297 270.078674 3146.937988 271.087769 135461.296875 END IONS BEGIN IONS TITLE=CCMSLIB00000081063 PEPMASS=205.195 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B13A01_Guaia_1_5___6__diene [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081063 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081063 SCANS=1 103.053955 26.496019 105.069458 540.69281 106.738037 17.023149 107.085304 3268.856934 107.131905 21.030821 107.180107 22.332689 107.461784 20.173941 108.556618 18.24963 108.59964 19.20437 108.620178 30.860769 108.650398 28.672661 108.718971 16.828939 108.767067 16.69182 109.069183 14.80154 109.101097 14427.879883 109.145302 99.064011 109.161263 22.48457 109.182716 29.653061 109.193314 24.49334 109.205582 14.91274 109.22541 64.770592 109.243309 26.915199 109.272118 17.87785 109.289749 27.851721 109.31263 17.86342 109.321663 33.948872 109.368347 24.59816 109.407394 19.661011 109.41523 15.52035 109.435905 34.936069 109.50341 15.79722 109.570312 17.86981 109.590897 28.61363 110.10527 58.471809 111.116302 119.648903 119.084549 116.9599 121.10096 3362.611084 121.148201 25.385361 122.10569 17.028799 123.116295 3867.675049 123.162315 30.16482 123.178894 23.285299 123.263565 15.89584 133.101379 108.939201 135.116776 6836.195801 135.166855 65.040176 135.186111 20.951611 135.25885 27.86643 135.290253 26.966339 135.315933 14.94415 135.378662 18.591311 135.39122 17.751591 135.526062 15.53379 135.621277 15.54683 135.685379 27.06568 137.131439 144.816498 147.114609 50.049 148.510147 20.44158 149.095016 25.96237 149.132172 6132.299805 149.185165 20.45356 149.201706 23.161169 149.220551 24.866421 149.254837 15.56767 149.320358 20.423019 149.362167 14.53559 149.463058 19.24971 149.474808 18.176001 149.490524 29.07085 149.620071 14.50718 149.652771 17.75293 149.899307 14.49652 163.146851 468.689911 177.163284 14.87063 205.156326 15.04938 205.194702 4048.637939 205.302124 25.056141 205.44664 21.059959 205.572067 17.399981 615.671387 18.66861 1286.655518 17.80933 1297.268433 25.304041 END IONS BEGIN IONS TITLE=CCMSLIB00000081064 PEPMASS=951.544 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B20A09 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081064 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081064 SCANS=1 189.124344 39.69603 191.177734 123.155701 285.221252 489.539215 303.229126 116.110603 307.201569 96.996552 325.212463 148.320404 367.222961 326.552704 385.23465 172.535004 427.244873 1418.185059 484.059296 65.648087 484.091766 50.73978 484.131592 42.398529 484.172974 53.11158 484.227997 58.094158 484.277893 69.652512 484.339111 59.447411 484.384644 83.44252 487.172638 58.80682 487.266418 35315.519531 487.718048 105.467598 487.832733 55.965179 487.899445 105.587502 487.940704 135.073898 488.008057 113.068199 488.051392 53.127831 488.091614 92.244881 488.144318 114.458504 488.358521 79.67836 488.756409 47.011478 945.317322 38.307961 951.542603 6221.420898 951.882874 40.453831 952.130188 66.723221 952.203796 74.639442 952.307129 38.886581 952.974915 35.940708 END IONS BEGIN IONS TITLE=CCMSLIB00000081065 PEPMASS=255.124 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B24A06_Isoplysin_A [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081065 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081065 SCANS=1 103.054077 108.867302 115.054527 275.212189 117.069595 243.8909 118.065224 108.262299 127.053368 240.600494 128.049515 242.723007 129.057068 462.526489 130.065063 3516.614014 140.049332 64.448158 142.063858 119.236397 143.072845 211.235992 144.080582 1769.078003 154.064453 1076.401001 155.060028 2401.813965 156.068222 5784.423828 168.044281 106.929497 168.06636 73.19767 169.075638 329.279114 170.083618 330.072906 171.091476 2810.156982 180.05751 70.361137 181.063339 61.774879 183.05513 106.611099 183.077744 104.894997 184.062546 180.990997 195.078568 137.088806 196.086884 104.924004 197.082809 58.10994 198.102417 506.065613 199.086197 324.199585 210.100204 61.944778 211.09584 65.941704 212.107971 106.890099 214.098389 66.451752 223.097824 80.631378 224.08255 113.990997 227.128403 238.219406 239.092331 279.877502 240.100647 11740.959961 255.074005 51.11549 255.124496 45010.269531 END IONS BEGIN IONS TITLE=CCMSLIB00000081066 PEPMASS=377.269 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B04A14 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081066 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081066 SCANS=1 105.069931 3166.966064 107.04953 251.409302 107.085136 971.312805 109.065018 230.475601 109.100937 8559.549805 109.145538 113.966599 111.079239 324.407715 113.05809 142.701401 117.070274 215.680893 119.05014 172.066803 119.085121 2493.940918 121.064171 1721.866943 121.1008 1670.730957 123.080238 2913.023926 123.11747 476.995087 125.094742 348.528809 131.084396 895.767822 133.064713 1337.223022 133.100616 2385.63208 135.04364 151.625305 135.079834 3979.864014 135.116425 1018.471008 137.095642 2498.559082 137.129196 142.0392 139.075546 99.6922 143.085739 306.819214 145.064133 160.565201 145.101044 2100.012939 147.080215 1982.652954 147.115997 1114.650024 149.05986 303.701996 149.095718 5921.901855 149.129211 132.729996 151.110977 553.93103 155.08374 123.709198 157.100876 728.863525 159.08168 196.306793 159.116318 1854.504028 161.095657 10977.009766 161.128693 273.347687 161.16658 108.304199 163.111435 1150.234009 163.14418 169.7276 165.090683 19949.599609 169.099213 183.870697 171.115311 431.830505 173.095474 4620.437988 173.131592 2189.361084 175.110809 2971.163086 175.147324 1710.864014 177.125702 831.219299 179.106369 6059.315918 181.119385 134.3871 183.116898 501.477905 185.130936 276.941803 187.11055 1866.879028 187.147339 630.506226 189.127518 2018.391968 189.162247 859.062683 191.105789 8380.006836 193.121399 1223.739014 197.130875 288.874786 199.148438 2184.681885 201.126907 3141.184082 201.162079 407.130096 205.121887 5921.907227 205.156708 1591.488037 207.137558 1111.383057 213.162689 500.479706 214.137024 124.341904 215.142563 950.401917 215.178741 2507.14209 217.158356 11392.360352 219.138199 2281.446045 224.153519 109.154701 229.194382 1317.391968 231.173691 242.682404 233.152939 110.608902 233.189255 773.92041 239.178329 1111.724976 247.203201 229.351105 257.189758 6808.043945 275.19989 7096.49707 293.211426 159.933502 END IONS BEGIN IONS TITLE=CCMSLIB00000081067 PEPMASS=316.118 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B11A01 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081067 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081067 SCANS=1 106.488556 8.680555 118.43679 9.010715 121.999992 9.037879 160.076599 25.02837 175.054977 39.452381 186.048965 43.373428 187.148209 22.195761 201.210358 6.022059 214.840851 5.016304 215.05719 55.35667 215.174881 58.55447 215.223434 2.347222 216.064911 168.138794 234.061447 37.49707 235.080658 78.777397 239.175781 56.35088 271.187744 39.538799 271.241394 730.428711 271.343384 12.74242 271.377106 8.7 271.485748 49.196671 271.56543 30.964149 271.615509 12.20076 314.428131 12.36458 316.116302 37.92852 316.265472 269.738007 316.34021 1.875 407.11142 26.459999 END IONS BEGIN IONS TITLE=CCMSLIB00000081068 PEPMASS=362.284 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B03A04 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081068 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081068 SCANS=1 110.026611 67.149773 134.038116 50.99313 134.327225 7.560484 134.903732 18.04167 135.021957 2219.589111 135.076813 9.524194 135.115326 23.14286 135.378952 8.775641 135.43338 21.840521 135.487213 7.75 135.530777 11.45581 136.123367 11.71354 137.094482 81.626251 137.227463 12.54167 137.245972 13.90645 138.062088 13.04748 138.097519 197.548599 138.223267 7.428572 140.114151 16.489811 150.631165 7.656609 151.117523 13.93895 151.177277 8.770833 151.225311 21.59049 151.244354 22.84083 151.296173 59.976871 151.306168 16.125 151.334656 10.34833 151.348114 38.736149 151.383377 25.0625 151.395386 34.314529 151.418732 7.296568 151.45752 16.30616 151.503754 29.362711 151.533493 14.6557 151.662079 9.490196 151.76889 14.0498 152.048935 31867.740234 152.09761 72.015869 152.135086 12.61364 152.19313 136.026001 152.210083 92.583817 152.223907 35.63953 152.232529 33.055111 152.249985 101.238899 152.257996 93.185783 152.265915 17.97543 152.284607 51.937698 152.300827 45.000141 152.311157 32.98938 152.327835 42.013821 152.359558 40.707069 152.385162 102.609901 152.4095 45.75238 152.426682 105.878998 152.44487 19.758841 152.483704 87.509598 152.581223 105.200996 152.966705 30.39216 153.050537 210.606003 153.118668 11.16177 153.231094 66.885887 153.52681 9.391026 153.630112 21.002979 156.911682 11.82315 161.817474 9.259408 332.490814 10.71415 362.231873 49.667568 362.285065 506.556488 362.58136 22.948971 408.851135 72.407707 646.973267 14.52 1105.046021 10.29643 END IONS BEGIN IONS TITLE=CCMSLIB00000081069 PEPMASS=417.265 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B08A01_not_named [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081069 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081069 SCANS=1 105.068848 191.423996 107.085884 641.215393 109.101097 2563.003906 111.115997 196.571503 119.049576 226.905502 119.084785 384.933594 121.065971 177.936798 121.100677 815.749573 123.043037 419.791412 123.116295 3077.707031 131.085129 364.287415 133.101059 293.631714 135.115173 380.468506 137.131317 2541.014893 139.075928 165.314697 143.084473 314.175415 145.062119 200.661697 145.100647 163.330597 147.043106 1952.401978 147.114044 232.565094 149.059357 284.747406 149.13237 611.187805 151.07692 166.812302 151.14856 301.609009 157.101135 252.916306 159.116119 259.8508 161.093124 332.062286 161.130768 304.835297 163.148392 266.663696 165.054581 499.289215 165.163879 190.146606 171.081131 283.303101 171.11409 159.3367 173.094299 327.713501 173.131516 287.083191 175.038254 4327.896973 175.074844 231.237701 175.147354 214.665497 177.161514 333.488007 183.079361 186.902405 183.119598 203.747894 185.131531 160.405396 187.07515 176.544998 187.149307 235.462402 189.091782 215.978607 189.125275 151.629105 193.048813 1228.948975 193.194794 160.546295 195.064178 156.040298 197.131256 334.697388 199.109604 167.045502 199.148117 223.806702 203.105652 485.553192 205.194305 391.830688 209.131943 153.424194 211.108734 153.981293 215.102768 209.212402 217.121811 211.446701 227.143784 233.163101 229.118881 191.107101 231.138016 201.891998 239.14418 199.105392 241.152344 189.270004 243.098358 186.018494 245.116425 186.505096 249.113953 330.465515 251.135956 179.972 251.180679 156.885498 255.136475 227.827194 257.152527 237.879898 263.124969 283.649506 269.223633 179.588104 275.130402 188.258606 277.144653 158.633896 279.137482 167.648499 283.131653 182.757797 283.163055 317.64801 285.145966 201.463699 289.144897 169.579605 297.185852 180.203705 299.164307 159.597397 301.140198 222.284195 303.159943 179.696304 305.174194 156.5578 307.23819 157.716797 311.161041 174.896896 315.158905 200.091293 317.175201 153.792999 319.155914 168.904099 325.17511 181.563797 329.174713 446.591095 333.168396 517.362427 343.191589 249.873306 347.185181 773.960571 353.246796 382.622711 361.19751 769.884827 363.231567 476.363007 381.243408 623.644775 399.252563 802.97937 417.262848 1301.593018 END IONS BEGIN IONS TITLE=CCMSLIB00000081070 PEPMASS=227.093 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=2_de_N_methylaplysinopsin_A [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081070 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081070 SCANS=1 100.050156 132.5242 101.038307 114.420898 103.054085 1439.339966 110.033096 119.328003 113.037552 46.004139 115.054169 1022.482971 117.057007 2042.93396 128.04953 1139.146973 130.034195 57.176811 130.065247 24967.740234 130.409714 42.66777 130.531067 43.362419 131.067368 130.097107 132.081131 249.616302 140.049164 1246.438965 142.063919 788.239685 153.045364 42.933208 155.060104 7120.025879 155.113113 60.273911 157.075974 25968.470703 157.37764 58.874512 157.429718 42.90551 158.059357 112.7696 165.045181 48.910629 167.059692 1631.624023 170.069748 65.357719 172.087448 148.254593 181.062408 168.568802 182.070557 3435.080078 183.052597 201.798004 184.086243 1503.667969 185.070007 1258.630981 199.097229 466.192993 200.081146 1116.099976 209.081223 185.4086 210.066147 1981.046021 225.753448 44.92907 225.826813 42.80117 225.872223 49.866901 225.926193 44.88755 227.025925 113.660004 227.057373 56.019772 227.092804 42453.359375 227.573105 111.504402 227.621521 44.501801 227.710464 61.751141 END IONS BEGIN IONS TITLE=CCMSLIB00000081071 PEPMASS=268.992 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=4_bromo_4_methoxy_1H__1H_2__2_bipyrrole_5_carbaldehyde [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081071 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081071 SCANS=1 103.041451 815.37677 104.049133 346.156799 106.064484 145.863205 108.044159 273.755707 108.067787 10.28364 116.049538 421.146698 117.056519 689.305481 118.027344 57.554001 118.06321 221.184204 119.035896 19.59552 120.043785 51.792419 129.04425 241.390701 131.06012 103.0429 132.067795 189.840897 133.075623 471.048889 134.05954 45.54631 142.052414 43.565041 143.059799 3042.763916 143.111237 16.035959 143.165451 13.51909 144.043716 58.253719 144.067719 1600.797974 145.049789 53.57576 146.046814 102.352898 147.054871 220.169601 155.056046 20.984369 158.021011 13.37661 158.046127 30.799179 159.056503 28.185089 160.061554 41.4394 161.070587 563.580017 168.95163 16.602671 169.957657 21.575109 171.053726 50.970329 172.033371 13.36129 172.062729 2795.250977 172.119232 10.38989 172.19194 10.29812 172.435638 12.69428 172.451523 10.23349 174.044174 18.201509 174.053421 15.43539 175.048935 134.090302 189.052246 11.79594 189.064499 187.625198 190.015274 12.07273 190.050491 14.0281 190.073425 5905.182129 190.132141 36.973831 190.14447 18.17799 190.170044 11.61392 190.220383 10.45404 190.256317 14.49037 190.308578 12.66821 190.358902 13.56386 190.376328 13.06024 190.484634 10.61607 190.523132 11.27713 190.567398 10.19366 190.609207 15.33454 196.972061 15.44182 197.958832 14.42294 224.963181 44.118649 239.981415 16.09178 253.966766 51.019409 267.437775 11.29757 267.578247 12.15435 268.907471 19.697519 268.991577 6917.623047 269.062012 60.472988 269.127136 14.63901 269.158661 36.182381 269.21405 37.970829 269.264313 21.52194 269.286713 11.45002 269.312073 11.58504 269.330902 13.35182 269.347687 19.9792 269.371277 18.306219 269.429901 13.81589 269.457764 16.165951 269.519623 13.35582 END IONS BEGIN IONS TITLE=CCMSLIB00000081072 PEPMASS=507.311 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B08A04 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081072 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081072 SCANS=1 105.066872 43.32959 107.084579 60.456551 109.028412 38.477982 109.099541 61.935921 119.084976 78.117233 119.269455 14.66768 119.316132 34.347 123.111206 51.92033 133.096268 31.30044 135.079605 69.307243 135.113068 45.485142 137.13118 107.791397 151.070694 34.88924 151.143982 24.03141 153.068237 52.609421 157.1064 62.042679 159.116272 41.404209 161.060501 42.652599 161.128967 18.76136 163.074677 104.492996 171.116989 76.081482 173.132156 89.141693 175.071472 15.70833 175.149597 16.56818 183.118362 75.594017 183.132019 43.078918 185.134048 80.609047 187.108902 101.256302 187.146011 103.410301 189.089508 50.08046 189.158691 204.412903 197.129028 28.847219 199.109085 19.378151 201.159668 23.02519 203.105591 64.476624 209.126968 19.339279 210.102066 27.73847 210.132431 29.10745 213.088669 88.115097 215.09758 31.28163 215.107758 131.832001 217.120178 11.94707 218.658798 21.8109 223.143677 13.6299 225.089615 29.66667 225.127075 33.810959 226.167694 66.152283 227.134979 24.019739 227.17215 39.526321 237.158081 76.334259 239.101196 98.209129 241.114044 26.877279 243.100342 300.903687 245.151489 41.963631 249.122772 21.92083 251.141525 10.92064 251.175446 14.37681 253.196762 69.368301 254.200302 44.64344 255.137482 142.412598 255.464294 12.46667 257.123016 71.378967 268.22052 85.014267 271.216522 58.214909 279.130981 41.040241 279.206573 50.724411 285.214783 15.15648 290.124878 41.832432 291.131622 38.604172 291.938293 10.40152 293.145721 72.54789 297.154755 40.653568 305.151611 27.911619 307.17215 85.650291 311.163177 36.0453 325.170654 22.123461 325.218201 37.763889 329.151581 24.00066 329.24176 57.65419 349.208588 12.36694 352.629974 14.32527 352.845581 18.0 359.197998 22.44138 368.239349 26.07626 373.218262 21.80702 385.278992 18.01827 401.27417 11.11111 405.277069 11.34248 408.26001 18.578279 429.271637 67.539833 435.253296 15.75 447.28598 65.566803 465.301941 28.71468 471.270294 27.44381 476.624237 15.52688 507.287567 64.642159 END IONS BEGIN IONS TITLE=CCMSLIB00000081073 PEPMASS=325.165 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B07A13 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081073 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081073 SCANS=1 103.037331 106.2061 113.058121 289.571594 137.094482 266.120087 139.112823 41.078621 141.053955 195.703796 152.083771 42.305168 163.045898 24.66716 165.089935 143.099701 166.096451 113.957497 167.105774 454.371887 167.580429 12.26593 179.0616 20.068069 195.098083 13.14817 221.149673 40.93935 223.132507 1206.547974 223.201111 14.48065 223.328888 17.474051 223.681335 12.49427 224.78215 14.07959 229.115829 20.586229 235.167343 13.26694 243.13559 35.176899 251.129669 221.900604 253.107788 17.688829 261.150726 16.84783 263.161377 216.408905 307.150787 103.586601 323.115601 16.37582 325.163086 774.96698 333.08905 16.84696 END IONS BEGIN IONS TITLE=CCMSLIB00000081074 PEPMASS=689.406 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=Cembrane_Diterpene_plus_COOMe [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081074 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081074 SCANS=1 105.069443 829.904419 107.08564 1004.372009 109.064842 509.087891 109.100769 467.093811 119.085869 830.701294 121.100853 693.580627 123.080528 715.82959 131.085327 2149.569092 133.100983 4033.361084 135.079926 1356.572021 145.101013 956.456482 147.116394 410.441986 149.096695 390.098389 151.075134 1197.738037 153.090698 2793.519043 155.085968 450.3396 157.100082 629.343079 159.079132 444.1716 159.116379 845.665283 161.095291 1556.776001 163.075226 442.218811 165.090347 709.959595 169.100204 773.169922 171.115494 632.6297 173.095093 414.588715 173.130585 409.746613 175.111145 1058.546997 177.090744 6322.276855 179.106323 980.714172 183.116409 1062.739014 185.09668 1005.35498 185.131317 912.5177 187.111542 3156.9021 189.090118 408.488495 189.125595 585.450989 191.106857 2153.613037 193.11998 847.371216 197.095917 449.020996 197.132538 998.722717 199.111572 513.297485 199.147034 1111.839966 201.091629 517.456482 203.1064 1132.363037 205.122452 1480.063965 207.117157 694.891724 209.132065 1805.463989 211.111313 1313.649048 211.14743 2014.545044 213.091324 2866.822021 213.125443 475.346985 213.164124 868.222473 215.106735 5396.245117 217.122833 1043.118042 223.148071 622.536499 225.090622 409.086487 225.127502 3525.920898 225.162018 743.323608 227.104904 444.439789 227.144592 488.869812 229.122452 1601.100952 233.117111 2770.679932 237.127899 743.477417 239.106796 417.157715 239.142776 1481.287964 239.179764 21621.960938 241.158249 387.284607 241.194717 7531.825195 243.137909 1392.702026 249.163895 20183.820312 251.179825 1721.199951 252.149323 413.644409 253.121964 670.80188 253.157974 1037.973999 257.117432 634.09613 257.153564 573.551086 257.189178 2675.5979 259.136261 716.049011 267.174774 106068.0 271.132355 514.811401 271.167694 1009.278015 277.157898 2857.957031 285.185547 38098.390625 295.169983 39707.589844 299.200623 17298.410156 309.184723 2541.153076 312.172852 567.538818 313.180359 41260.789062 317.211395 1138.848999 327.196411 50895.359375 345.206207 13422.370117 END IONS BEGIN IONS TITLE=CCMSLIB00000081075 PEPMASS=168.042 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B25A14 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081075 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081075 SCANS=1 106.070618 24.016541 126.945702 22.75034 136.035995 23.6777 150.095581 51.946331 150.290482 12.29762 168.024567 38.318409 END IONS BEGIN IONS TITLE=CCMSLIB00000081076 PEPMASS=392.288 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B10A33_1_Trunculin_E [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081076 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081076 SCANS=1 105.070145 5338.865234 106.073753 2607.111084 107.085777 4469.47998 108.089462 2862.508057 109.064545 1219.529053 109.101669 4824.266113 110.104744 2131.51709 111.080711 1560.349976 113.060028 1219.754028 117.068817 1007.640991 119.085655 4228.76416 120.089241 2207.241943 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186.135681 2603.283936 187.14798 2408.593994 188.152176 2876.218018 189.163788 4571.119141 190.167206 4819.450195 197.131882 1623.282959 198.136475 1953.21106 199.14769 1492.113037 200.151627 1900.031982 201.1642 3056.802979 202.166473 3778.655029 203.14325 1042.785034 204.146271 927.706116 211.147491 1860.171997 212.151764 4051.27002 214.167328 2353.029053 215.177933 1348.13501 216.145767 1239.883057 216.182358 1853.488037 225.162796 1744.699951 226.167114 3433.404053 227.178574 1833.526001 228.182877 4836.90918 229.158173 1346.422974 230.162415 2555.808105 230.198792 1846.909058 242.198776 1983.371948 243.172729 860.536621 244.177536 1551.229004 244.213928 936.574402 246.193512 1019.268982 257.226349 990.366211 258.229767 2638.528076 267.209412 1024.246948 268.214508 7949.626953 285.220734 3183.427002 286.224365 17344.419922 303.230896 1360.980957 304.235382 6154.048828 374.277679 4718.897949 392.288239 14331.589844 END IONS BEGIN IONS TITLE=CCMSLIB00000081077 PEPMASS=510.315 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B07A14_Dihydrosiphonasin_A [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081077 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081077 SCANS=1 109.100815 1814.265991 113.058998 1420.602051 127.111488 2177.39502 137.095551 8954.667969 138.099014 4473.437988 149.132523 1574.628052 153.091522 1395.281006 155.107285 1883.463989 165.089661 1753.407959 167.106155 4371.811035 167.143097 4201.500977 168.110092 1996.775024 168.144958 2329.677002 193.083954 2093.62207 193.124268 1951.647949 194.087769 1266.03894 194.124496 1486.005981 223.132416 12969.379883 223.166443 2368.863037 224.136246 9574.181641 224.171677 2568.10791 241.179825 2957.039062 242.182648 2612.302002 251.127914 53046.929688 252.131531 57166.730469 263.165161 5187.40918 264.167511 6703.564941 307.154175 5166.263184 308.15625 6938.24707 319.189484 1546.121948 320.193237 2204.512939 325.165192 4486.766113 326.168488 6190.654785 337.199158 1830.214966 363.180481 2635.802002 364.183502 7954.204102 376.216705 1257.093018 404.215393 1485.527954 416.250549 1774.753052 434.262451 4767.940918 456.281799 6082.931152 474.294159 40803.71875 492.304321 124348.398438 END IONS BEGIN IONS TITLE=CCMSLIB00000081078 PEPMASS=527.335 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B24A19 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081078 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081078 SCANS=1 273.507141 136.416199 273.554291 65.879997 273.572388 61.310188 273.59787 45.193161 273.655853 65.229134 273.69693 46.375 273.720642 91.677467 273.749329 41.20359 273.766144 41.888889 273.956451 46.726429 275.162231 36412.140625 275.45755 147.787994 275.55542 168.342499 275.609253 44.680302 275.628784 119.031502 275.664429 87.635933 275.692657 133.709702 275.726013 143.093506 275.773651 77.60881 275.793091 65.982231 275.807404 43.57444 275.845947 92.978531 275.876526 80.733383 275.92218 128.783707 276.015259 82.9534 276.090607 45.144291 276.480103 46.20879 276.68045 39.11763 277.248199 38.75293 277.302521 37.231041 486.207123 44.138889 527.332092 1294.805054 END IONS BEGIN IONS TITLE=CCMSLIB00000081079 PEPMASS=529.461 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B12A13 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081079 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081079 SCANS=1 107.085213 78.373871 109.100586 40.341949 111.078751 26.08103 111.115479 29.83498 112.083054 13.15105 115.110107 21.965891 121.101425 76.702904 123.08287 13.81562 123.115219 69.036011 125.094673 79.662163 131.084915 14.47566 135.079193 11.70737 135.116302 24.749281 137.133423 13.50925 139.07338 20.980829 139.109543 38.99334 149.131073 126.579803 153.088104 19.71509 163.147415 35.7435 209.190918 11.44534 219.208725 61.84882 237.220703 226.414093 263.240326 11.06098 293.24588 296.908203 529.270386 38.662491 529.364014 29.614651 529.388123 14.2467 529.411499 46.092339 529.459534 1318.751953 529.557617 28.41597 529.64801 11.11933 529.743896 16.203159 529.818604 28.241779 530.083984 17.22438 530.157532 20.62738 530.215759 12.09894 END IONS BEGIN IONS TITLE=CCMSLIB00000081080 PEPMASS=550.628 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B09A01 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081080 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081080 SCANS=1 164.104935 44.083328 390.204132 40.606831 550.554016 90.479538 550.628174 3087.475098 550.802979 34.553219 550.84668 45.229969 550.917908 67.322166 551.11322 32.250198 551.195984 55.665771 551.252502 53.504101 551.58728 46.977871 END IONS BEGIN IONS TITLE=CCMSLIB00000081081 PEPMASS=509.241 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B24A07 (Likely Tubastrindole B) [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=CN1C(=O)[C@@]2(Cc3c4ccccc4[nH]c3[C@]5([C@H]2c6c[nH]c7c6cccc7)C(=O)N(C(=N)N5C)C)N(C1=N)C INCHI=InChI=1S/C28H28N8O2/c1-33-23(37)27(35(3)25(33)29)13-17-15-9-6-8-12-20(15)32-22(17)28(24(38)34(2)26(30)36(28)4)21(27)18-14-31-19-11-7-5-10-16(18)19/h5-12,14,21,29-32H,13H2,1-4H3/t21-,27-,28+/m0/s1 INCHIAUX=AMPTWLHXXYAHSB-YNOBPPCASA-N PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081081 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081081 SCANS=1 130.064194 211.287994 144.080292 103.853203 154.062241 103.636398 155.059677 60.397911 156.068176 275.354309 157.075958 226.264099 171.091568 807.979675 184.062317 53.686321 198.102234 252.059998 199.085388 295.974609 212.108139 48.54808 227.127258 118.6064 240.10051 4103.437988 253.583694 45.394321 253.649994 62.383469 253.677856 48.173141 253.773529 46.489658 255.050537 86.08577 255.124329 45035.789062 255.460953 69.713867 255.511627 54.786819 255.529541 60.845371 255.578461 66.613487 255.654556 64.639183 255.704666 69.070602 255.752808 90.600212 255.777863 54.184891 255.815338 47.94133 255.840759 83.177689 366.122986 47.235481 509.240692 7158.467773 END IONS BEGIN IONS TITLE=CCMSLIB00000081082 PEPMASS=584.48 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B13A13 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081082 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081082 SCANS=1 100.038376 189.257797 100.076385 73.97876 107.084076 115.639702 109.101013 142.055695 117.10186 341.501312 119.08593 36.06282 121.101387 62.66011 123.096153 11.7551 123.116127 93.89122 135.115585 35.48151 147.118683 70.460449 149.130371 117.474403 155.115906 33.567989 163.143707 73.176422 164.149185 24.561449 175.139984 15.72255 186.077332 24.15262 203.178635 1109.280029 203.395065 12.26889 204.029755 11.35948 205.193878 227.655807 220.202011 101.903702 221.189072 32.53619 225.197723 10.13188 246.181564 10.12963 248.200394 646.236389 250.148193 16.07284 262.563843 16.99365 262.769775 15.18313 263.210114 38.467869 264.111694 10.90244 264.195343 4605.346191 264.26416 28.50902 264.325775 29.7362 264.386444 34.743801 264.417023 24.104851 264.436676 12.16832 264.453461 21.681959 264.554199 20.364361 264.576263 32.487289 264.598419 16.59202 264.650574 13.30215 264.745209 13.96564 264.770264 20.389111 265.051819 15.16504 265.112213 11.19927 265.746185 12.44584 265.94574 10.72651 319.27356 178.206894 319.75946 11.07692 337.282928 402.317993 380.286957 28.35955 468.374695 70.458908 580.48584 12.65544 580.841614 15.13651 584.34552 20.52478 584.407349 21.359449 584.477844 1683.035034 584.544678 11.6264 584.740784 15.45652 584.957764 12.36373 585.112061 18.38941 585.248535 35.941471 585.309021 22.621071 585.407043 15.48737 585.561829 23.82226 586.14624 10.45503 END IONS BEGIN IONS TITLE=CCMSLIB00000081083 PEPMASS=393.264 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B04A12_1 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081083 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081083 SCANS=1 101.060928 101.081703 101.093323 71.197701 105.070137 147.965103 107.087471 161.343506 109.06546 815.967529 109.100471 998.672424 111.114708 169.190094 113.057579 385.2211 119.085106 201.258698 121.100792 383.931885 123.080208 334.059998 123.116234 1467.391968 125.059624 206.292801 127.075081 445.738312 131.083954 150.933899 133.101685 233.622101 135.081665 286.903015 135.117538 527.905518 137.058441 195.399796 137.09729 126.492104 137.133453 263.597412 141.090912 110.189301 143.086517 320.734802 145.100372 146.4216 147.116043 232.337997 149.132935 118.736099 151.072861 146.582901 151.11174 101.490799 153.052887 92.371696 153.091522 195.167404 157.100174 563.850281 159.078613 220.035599 159.115387 325.726013 161.095642 665.696411 161.130814 602.697876 163.11145 248.370804 163.147064 359.698303 165.088882 198.983704 165.12619 138.841095 167.068817 511.106598 167.106125 111.160301 169.085007 94.371887 169.102997 106.819298 171.11676 366.976288 173.131912 4532.308105 175.111816 139.969894 175.148422 323.986206 177.126022 249.677505 179.141144 371.168396 181.08551 94.393944 181.120834 132.883499 183.113632 119.539902 185.096558 382.4552 185.134369 101.1138 187.110519 187.6586 187.1483 360.657593 189.122543 75.347557 189.160278 161.686096 191.143234 2440.835938 193.118637 144.872406 193.157959 1255.574951 197.128708 292.975189 198.138763 241.765793 199.10968 223.128403 201.16156 107.840202 203.104034 89.504028 203.142365 1228.790039 203.17688 539.616516 205.123352 142.021606 205.157944 240.680298 209.153152 1855.11499 211.142059 283.799286 213.126907 85.295418 213.162674 2455.150879 215.141602 1079.421997 217.119949 166.153397 217.157089 410.215912 219.17276 312.731995 221.152634 3223.208984 227.180283 253.6008 229.159439 597.508301 231.136887 96.370689 231.174347 3112.032959 233.151932 460.6604 235.166855 97.150002 237.159515 81.562103 238.162781 77.211258 245.1548 85.401314 245.18866 825.571594 249.184189 1859.000977 255.17395 1386.286011 263.198517 71.480057 273.185516 3325.585938 291.194244 914.817627 END IONS BEGIN IONS TITLE=CCMSLIB00000081084 PEPMASS=355.212 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B27A04 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081084 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081084 SCANS=1 101.022614 61.899021 105.07019 70.625664 107.084465 174.582596 109.063828 50.232059 109.098755 83.916138 111.043182 43.58783 113.057747 32.19054 119.084564 75.399101 121.063972 30.19714 121.100525 244.269699 123.078384 91.873558 123.116844 609.411682 125.060249 62.871349 127.037918 143.815308 127.074623 26.891741 131.086212 33.25201 133.061447 27.25506 133.099884 79.452477 135.116653 189.183807 137.060623 44.26413 137.09697 74.130463 137.130936 35.108879 139.074951 29.1556 143.069611 149.760605 143.084396 38.850639 144.093384 26.618799 145.101089 59.59304 147.077927 38.1306 147.11615 61.8004 149.094696 45.14291 149.130859 46.19268 151.072418 47.56786 151.111145 122.811501 153.12822 27.595791 157.09874 41.127911 159.064972 27.551291 159.081467 39.82235 159.116272 50.693661 161.09343 41.16312 161.128662 48.54705 161.134338 59.5327 163.070755 25.002251 163.146774 38.771431 165.162491 37.272751 171.062332 49.853401 171.115814 31.62977 173.129456 64.829483 175.109879 91.79081 175.148163 74.775726 177.09079 54.780418 177.128052 88.907013 179.10611 30.606199 179.141174 133.193405 183.064743 27.86186 185.133575 44.196869 187.111908 26.777519 187.145813 31.086941 189.126953 26.17621 191.144669 45.22187 197.132355 34.19051 199.144547 27.85932 201.123184 24.50519 202.094757 24.72056 203.14267 98.62088 205.156799 48.68317 209.118317 90.598877 213.162582 25.75515 215.090515 342.481812 215.141663 49.676071 217.15715 115.385399 219.099243 36.430061 219.138458 52.46965 219.171341 31.4995 227.1409 91.789307 229.118805 42.482979 231.137573 51.85696 231.168045 26.305019 231.174835 38.633369 233.149689 65.054039 235.170197 157.776398 241.157104 76.427353 243.138535 71.289223 245.152328 199.564804 247.16745 24.81155 249.189896 26.36825 259.167847 165.894608 261.145874 68.286346 263.164215 99.06041 265.177521 24.69297 269.151611 59.952572 275.15979 44.519791 277.17984 36.539619 287.1633 269.588898 301.175537 39.469471 305.174286 946.053528 319.190399 113.198402 323.185455 192.422806 337.200104 329.566803 355.211426 113.162598 END IONS BEGIN IONS TITLE=CCMSLIB00000081085 PEPMASS=183.065 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B24A33 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081085 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081085 SCANS=1 105.033211 1096.609985 107.012733 19422.220703 107.049019 17080.839844 109.028328 155.678406 109.064522 6029.937988 121.027832 239.076904 122.036057 18836.669922 135.006653 828.921387 135.050613 416.27359 137.059158 692.787598 150.030716 9144.674805 165.054749 139425.203125 166.057327 487.4021 183.063782 265.778595 END IONS BEGIN IONS TITLE=CCMSLIB00000081086 PEPMASS=444.239 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B27A06 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081086 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081086 SCANS=1 106.064804 11.29398 121.064117 86.191437 129.069519 30.854759 131.090012 11.50181 133.098312 51.066769 137.098923 11.30738 143.952423 10.92614 145.100922 31.979469 149.057465 68.811127 149.132019 69.410316 150.929611 18.889219 159.079895 58.501591 164.062805 27.379999 165.090607 69.397377 166.08522 74.535744 167.108627 83.835091 177.090256 128.058105 177.127213 135.117401 177.797379 13.4697 179.107422 18.83428 179.140289 118.428703 190.100586 23.369459 191.108109 35.206589 193.159714 10.13068 195.104355 15.23504 201.124313 13.4142 203.067795 22.508579 205.117401 18.43289 209.117325 46.749111 218.154938 12.66697 219.133179 146.684402 247.132996 192.034195 296.58844 13.62056 324.158813 14.69086 331.158051 12.35714 352.165527 10.7517 352.192383 11.18544 368.180939 55.7938 372.236938 22.537861 380.177307 20.38028 386.120422 15.60167 394.175995 17.503031 412.212738 607.794617 412.529633 16.96744 444.299652 14.85943 573.276489 14.83674 1229.921509 10.01709 END IONS BEGIN IONS TITLE=CCMSLIB00000081087 PEPMASS=338.086 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B22A10 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081087 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081087 SCANS=1 132.065506 15.86736 133.073395 10.02848 135.052582 10.94076 143.059296 19.863319 144.062958 10.5978 156.065933 15.60923 160.066208 41.767818 161.068344 16.25041 162.077667 104.179703 170.069244 59.351589 170.085968 11.0571 171.053909 31.291821 171.079102 39.444359 173.091019 11.59149 175.085419 187.141495 184.05925 13.39853 184.08345 55.36586 186.065674 43.161491 187.073578 37.703812 188.080353 16.7829 189.086823 19.38291 189.099213 12.49198 191.103424 12.79816 199.082687 14.56678 201.087128 13.65131 202.096741 452.928406 213.097183 11.75694 214.110229 10.89336 216.112335 194.835297 229.13237 10.00176 230.130005 40.121319 240.993607 12.46172 241.149994 14.61655 243.125687 10.08822 244.143112 18.193689 258.158051 34.63681 259.165771 154.735901 280.007294 13.59306 321.309906 13.50217 338.085663 1106.563965 338.176025 10.08015 338.321625 11.68894 338.403992 11.03836 338.525085 12.12152 END IONS BEGIN IONS TITLE=CCMSLIB00000081088 PEPMASS=271.243 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=Cembrane_Diterpene_minus_Me [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081088 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081088 SCANS=1 103.053391 199.799103 105.069687 7559.729004 105.113495 44.177219 105.25927 40.304401 105.291168 48.30658 105.352486 50.5042 105.404289 39.235821 107.08506 10906.929688 107.129303 80.740677 107.17305 45.70042 107.22348 56.185799 107.350166 45.216572 107.488968 34.109699 109.100761 11063.629883 109.145653 85.951378 109.216461 55.354172 109.472679 38.783779 115.050972 95.304527 117.069458 661.313171 119.085052 9133.625 119.132858 60.71653 119.606316 45.184559 119.675804 38.06945 120.412292 35.309181 121.070641 76.854988 121.100876 7019.51123 121.147804 93.688438 121.386459 37.99094 121.420761 34.909962 121.62915 45.808361 121.640892 42.4902 123.116524 1408.375 124.982307 45.389469 127.052834 115.894897 128.061081 119.5243 129.068176 129.509598 130.074829 184.727493 131.085495 1700.045044 133.101135 5957.768066 133.150192 36.694851 133.415283 36.060791 133.447433 38.802139 135.11647 4565.355957 137.133362 200.041702 138.136978 75.026398 142.073914 35.114681 143.083237 235.8125 144.09198 165.193695 145.10112 2443.218994 147.115921 3776.556885 149.131912 1704.800049 157.098877 199.248001 158.107697 193.467896 159.115585 2053.114014 160.124146 789.344971 161.132355 1823.55603 163.146713 516.367615 170.104202 43.467739 171.116867 75.303612 172.121582 114.035301 173.131332 1626.020996 175.14769 837.197083 177.16394 126.4888 185.131271 171.8237 186.13942 71.745422 187.147293 889.639221 189.161423 235.176804 190.178238 48.157379 199.144485 207.457596 200.159302 69.133331 201.163101 670.398987 203.177185 48.38485 213.161255 101.7472 214.166946 97.283813 215.178925 666.003418 227.17778 98.035583 228.186844 47.91534 229.194931 85.739563 241.199341 52.285721 271.240753 362.833496 END IONS BEGIN IONS TITLE=CCMSLIB00000081089 PEPMASS=603.459 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B23A12 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081089 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081089 SCANS=1 135.115311 11.00706 285.239716 18.800619 291.190552 90.172394 319.218414 22.668819 347.217987 16.762341 375.246155 30.90377 599.526978 30.467541 600.694153 11.06853 603.352783 10.05903 603.401123 60.376301 603.457947 3365.394043 603.557922 56.154678 603.60022 52.470631 603.674133 76.906967 603.743408 33.671471 603.786682 47.86042 603.8396 37.690441 603.94928 29.505421 603.984619 39.986832 604.028564 36.203629 604.316284 35.25769 604.364014 29.26515 605.066833 16.445351 605.123779 11.45041 605.210938 12.7539 END IONS BEGIN IONS TITLE=CCMSLIB00000081090 PEPMASS=685.538 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B10A18 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081090 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081090 SCANS=1 197.134186 13.43333 251.163834 22.19298 273.219727 25.35318 299.194855 23.514851 334.089264 13.52356 341.20752 37.881882 415.160553 35.779659 415.233704 10.20165 622.975037 12.61188 625.445374 12.02679 680.993103 18.82077 681.051147 24.232361 681.132751 27.23815 681.204102 10.6875 681.364807 25.13199 682.23999 18.01597 684.046753 11.09688 685.321045 27.299641 685.45752 108.081001 685.536011 3721.231934 685.653748 49.016209 685.767395 16.99695 685.909485 81.873253 686.051392 11.95149 686.124329 32.027901 686.1922 48.931591 686.288025 57.79224 686.485107 43.118038 686.754517 38.27346 686.848389 13.06349 686.885986 18.978081 688.001343 10.74395 689.005737 11.69408 END IONS BEGIN IONS TITLE=CCMSLIB00000081091 PEPMASS=510.286 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B16A16 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081091 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081091 SCANS=1 107.085251 1262.776001 109.064835 294.692505 123.080254 516.976013 124.112289 593.806702 125.095757 796.89093 135.079834 1353.468018 142.121902 1000.403992 153.05423 526.097717 154.122025 397.140808 163.075226 449.297791 206.152756 522.695679 207.161118 430.069794 208.16893 851.604675 215.10611 282.193695 229.121902 478.667603 257.116364 679.017517 259.133606 316.873108 330.206055 326.504211 369.17099 270.056702 492.27301 872.869629 506.979462 255.419098 507.028595 267.382812 510.286835 249853.703125 511.381409 329.268402 END IONS BEGIN IONS TITLE=CCMSLIB00000081092 PEPMASS=586.391 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B15A02 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081092 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081092 SCANS=1 121.088371 96.108368 134.096771 103.554199 290.136475 123.481903 290.210632 135.384094 304.15448 196.590897 304.226135 289.561615 330.205536 365.316986 334.19873 87.077164 344.222046 672.678528 346.198181 108.4328 348.216431 110.407997 360.21524 143.342102 360.289948 139.2034 368.183685 150.668793 370.272156 94.645447 386.266205 162.660706 404.27948 6546.504883 438.263489 2297.529053 450.334503 181.261093 452.278839 1027.292969 478.331024 2329.476074 494.326477 136.092102 582.449341 110.8638 582.490784 208.524597 582.565002 135.201996 582.599243 134.344696 582.634277 147.968903 582.724609 173.761307 582.804138 99.927299 582.862793 159.391907 586.295776 169.658401 586.389587 85212.546875 587.029297 185.402893 587.085999 147.554794 587.112366 93.935837 587.1521 295.786102 587.220703 227.235199 587.261353 270.006592 587.322998 120.007797 587.497437 231.118195 587.804443 121.582497 587.859131 161.100403 END IONS BEGIN IONS TITLE=CCMSLIB00000081093 PEPMASS=317.305 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B12A06 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081093 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081093 SCANS=1 111.116539 68.15966 113.130882 29.585899 117.06424 23.8976 125.131294 10.36272 127.147247 125.5065 129.068512 23.5881 141.161179 69.879913 155.178238 21.30526 169.190598 41.274189 225.255356 37.874359 255.26561 33.934559 263.187317 14.81179 299.289398 43.326939 317.213135 30.406651 317.235718 17.63266 317.305328 135.299698 318.238708 24.068411 END IONS BEGIN IONS TITLE=CCMSLIB00000081094 PEPMASS=461.291 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=Luffolide [M+H]+ PI=Sirenas Marine Discovery 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USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081095 SCANS=1 113.055618 24.5625 124.084007 31.35 150.171371 11.57143 151.10965 246.9254 151.621826 13.375 165.086258 58.240082 166.095444 260.615295 179.105682 197.632904 179.376724 15.675 179.433395 21.00543 179.685135 40.202271 180.115555 377.297211 193.119461 40.8811 193.157883 91.122971 194.129166 353.948486 207.097946 108.045898 208.147049 115.111801 209.151474 128.7202 218.126068 119.405098 219.141251 105.241402 220.912369 28.11574 222.156891 187.878296 236.132187 19.408331 249.146561 77.257141 250.146698 107.027802 302.184357 26.45833 315.158966 64.083763 329.18689 110.296898 329.295715 19.01923 329.366455 12.89286 329.596313 31.361111 330.177429 107.564697 331.090942 10.20833 331.189514 1543.769043 331.268188 17.00403 331.402069 23.72024 331.749573 11.28125 331.975433 26.96196 332.364471 33.25 332.772736 73.595589 332.935089 45.42857 426.550385 30.30867 426.586426 22.728451 426.820953 23.008329 427.009674 19.28125 427.478119 39.375 429.198975 164.690002 429.262878 5519.558105 429.378662 20.2663 429.486755 30.052629 429.529999 30.00403 429.588379 31.560181 429.630707 51.285381 429.674438 12.10227 429.717438 27.760139 429.769104 69.685966 429.838501 50.640148 429.901062 51.041672 429.955017 46.04348 430.067291 16.5 430.148499 64.08696 430.224213 37.23214 430.381165 27.112499 430.567932 40.115742 430.666748 15.05357 430.763885 46.44643 END IONS BEGIN IONS TITLE=CCMSLIB00000081096 PEPMASS=459.202 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B15A12_1 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081096 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081096 SCANS=1 116.905609 42.69408 117.905869 144.482895 118.905075 2174.657959 119.922058 1088.088013 120.921158 15565.019531 132.921265 240.170898 134.900711 62.171589 138.929276 34.3512 145.936371 36.117771 146.935699 272.522888 172.952682 39.993011 172.967209 41.605671 173.969391 117.648102 174.967499 1680.583984 174.979126 319.86261 175.98407 1211.079956 176.128098 27.27911 176.983627 23034.599609 177.039841 33.131161 177.179901 26.04213 177.316849 23.09869 177.350281 24.107149 177.383072 27.321939 177.403717 25.299009 177.421234 23.14785 177.476761 26.543329 194.992126 32.150108 231.046341 110.598801 232.046906 629.364624 233.046295 13506.150391 233.366028 31.91065 233.389679 32.84095 233.424454 50.754959 233.494751 28.593849 233.57431 30.302679 249.040207 70.808983 287.107574 52.47958 288.108063 262.752991 289.070831 39.54142 289.109161 9137.577148 289.533356 24.141081 459.202179 1349.490967 END IONS BEGIN IONS TITLE=CCMSLIB00000081097 PEPMASS=337.201 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B07A16_Olepupuane [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081097 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081097 SCANS=1 107.08461 129.084503 110.077118 24.04018 114.429901 22.228571 115.071335 56.908329 119.085709 45.469761 125.093605 274.152313 131.086716 73.626419 137.094543 174.767899 137.442459 11.76471 149.099396 36.832241 153.088928 219.220703 154.095963 96.22229 165.052597 27.74074 165.086624 11.88281 166.097229 246.082397 166.416733 18.12981 166.467285 34.453129 166.636719 26.87812 166.650055 19.0928 167.10527 814.681213 167.279495 29.88298 193.082779 57.7845 221.808777 23.09524 223.134384 951.700684 223.193192 16.06485 223.263733 24.384621 223.31308 13.94444 223.687485 12.32008 224.369553 21.51786 225.413315 25.790319 245.081177 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276.321686 139.097733 24.78616 142.068619 27.406361 146.068237 59.513699 148.086426 3821.646973 148.138748 25.396009 148.305222 14.81571 148.313828 16.33515 148.390701 13.75549 150.105392 29.225691 159.09111 114.026299 159.973404 30.806669 160.08577 266.174011 162.101715 22.0825 163.098495 75.016998 165.110229 53.543049 172.085938 104.415001 177.085754 46.060902 177.112076 333.939789 179.096481 15.63248 184.086578 135.363907 185.954315 262.075806 186.085556 20.24292 187.097153 79.157883 188.103394 32.990768 189.111923 209.384903 190.098038 22.459379 191.107117 35.01923 197.078827 40.821232 199.100815 17.2834 200.090378 34.373428 201.11171 518.042419 202.979202 16.99299 206.141541 13.98914 213.057129 25.33357 214.10733 185.596405 215.09549 46.789131 217.11731 34.056671 219.125458 14.92611 219.134689 44.72496 226.106247 101.106499 229.120804 37.514938 231.133759 180.988403 232.119537 16.270081 242.129623 22.75149 243.134018 257.999207 244.116043 41.73642 248.154037 19.904961 257.112762 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DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081099 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081099 SCANS=1 135.115631 201.960098 149.131424 175.253601 163.148315 270.728485 175.147995 192.556595 201.164017 754.840393 215.180847 514.175476 271.24231 15771.849609 316.263611 5381.478027 END IONS BEGIN IONS TITLE=CCMSLIB00000081100 PEPMASS=361.202 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B10A09 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081100 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081100 SCANS=1 105.06955 946.526672 107.085251 1343.578003 109.066124 259.811401 109.101204 252.229401 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297.181061 227.163101 311.164398 1415.791992 325.178009 1068.292969 343.18396 292.728088 END IONS BEGIN IONS TITLE=CCMSLIB00000081101 PEPMASS=521.312 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B12A22 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081101 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081101 SCANS=1 107.084 108.160202 109.099617 72.012627 111.044945 45.964691 113.059486 152.782394 115.075607 55.913441 121.100487 35.897709 123.077187 44.40007 123.114853 24.881519 125.095726 525.331604 135.080261 28.18754 137.130524 53.11385 138.063782 27.49485 139.11058 44.619282 141.055023 74.889938 147.116211 23.420139 151.075516 28.52692 151.110382 630.170471 153.058319 31.417549 153.090439 1649.942993 164.115631 26.441521 165.089279 32.932232 165.127396 260.683807 171.103592 70.61454 179.066299 34.951118 179.10524 115.892601 180.113403 95.988449 181.084717 164.147797 181.121384 1880.281006 183.138214 78.859711 193.120361 146.281204 193.15274 97.212097 203.14061 73.410004 207.100266 133.053894 209.116486 55.95182 219.13414 26.53323 221.152161 67.678192 225.112213 23.73525 237.11174 529.819092 237.148087 1013.882996 239.16301 447.065491 249.151489 111.618401 255.047592 24.579491 255.121979 797.289612 264.123138 29.406521 265.142822 1591.609009 267.159729 51.359459 277.179291 525.082825 321.166748 90.361458 323.184479 100.500298 333.202423 41.28796 339.179688 234.960098 341.194458 298.93161 351.211578 101.0457 377.191498 136.652298 389.234253 254.650894 399.213684 72.783257 407.24231 125.692101 417.227081 246.315094 429.265778 42.734928 435.237488 281.293915 447.269104 103.689003 467.27182 23.64971 485.290741 173.675705 503.29834 1952.526001 504.007477 24.243731 518.026794 26.4979 518.197083 24.368071 521.310608 10995.099609 521.424927 167.997604 521.476013 23.83036 521.513672 23.735531 521.541504 30.89155 521.606506 72.706848 521.662048 132.268402 521.70697 75.129883 521.749634 121.723801 521.800354 54.554199 521.845825 34.414028 521.89502 54.282249 521.990845 34.04224 522.077271 48.25185 END IONS BEGIN IONS TITLE=CCMSLIB00000081102 PEPMASS=359.223 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B24A29_Siphonodictyoic_Acid [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081102 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081102 SCANS=1 105.073013 35.356892 107.050453 27.429359 107.084702 407.23761 109.099854 763.335815 113.020142 41.365311 113.059288 84.843857 119.045692 27.31002 119.0858 328.165405 121.100227 549.095093 123.043808 863.187622 123.115219 68.094299 126.031197 302.819489 133.101242 128.891998 135.115723 400.287689 137.129959 32.5159 139.038666 105.406998 141.054276 791.352112 145.100555 79.594933 146.035828 31.53787 147.112473 68.029182 149.021561 41.333931 149.132004 229.430496 151.146194 27.10552 153.055145 168.181793 153.06665 83.106499 154.025299 165.803497 156.073578 30.34226 161.133942 38.18578 163.042526 37.81432 163.147034 402.960388 165.048904 33.0 167.067123 50.935509 168.039062 136.913406 168.091888 34.23888 169.048737 4960.032227 169.100708 43.76231 169.645187 36.011951 173.060043 50.783161 177.161362 295.000702 179.066406 84.20681 183.064056 290.288208 187.072601 33.342258 189.05481 71.855927 189.163406 409.571106 191.178146 911.208801 193.046982 42.169029 193.07959 40.56057 194.06752 31.43379 195.063797 52.986759 197.080826 138.091095 203.067154 76.443428 203.17807 103.007103 211.073883 100.095802 211.092865 119.200699 211.104004 75.689507 213.054642 41.704342 215.176727 137.557205 217.081284 45.851589 219.100708 56.223728 221.080994 34.663509 223.073242 42.765289 225.090454 44.785069 225.128113 32.167568 227.103821 39.892872 229.081726 31.142241 233.128922 33.309109 235.099396 48.386631 237.088196 33.290329 238.095734 29.111441 239.104858 191.405899 241.118866 51.474319 245.113678 49.814159 249.11116 108.693199 251.133362 41.626591 253.116119 55.694389 257.116852 47.440552 259.130188 30.04792 263.127686 47.871059 271.131439 240.860504 285.146759 92.824493 289.143463 44.83186 290.15744 30.17898 294.160065 35.72995 309.183105 473.546692 313.217712 60.269711 323.191925 44.780769 327.19046 129.657303 341.211426 2270.697998 359.221405 1163.68396 END IONS BEGIN IONS TITLE=CCMSLIB00000081103 PEPMASS=496.306 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B26A07_Zoanths [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081103 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081103 SCANS=1 107.084801 661.903625 108.079933 366.796997 109.064598 1257.402954 121.064438 381.07019 122.096283 759.825012 123.080002 1110.909058 123.104385 389.786499 124.076653 387.992004 133.10051 525.537903 135.080383 1145.927979 150.091003 557.715027 161.059662 379.1586 161.094879 598.464722 163.07373 604.381775 164.106186 909.124695 173.096313 383.256104 175.11055 494.131989 179.070007 595.173584 189.090652 1730.051025 190.158035 465.325104 192.138336 480.7388 201.125977 874.070312 206.153336 1265.259033 207.161713 7220.555176 208.169281 14491.629883 215.142792 497.9646 225.127014 790.315796 227.141617 579.756226 229.12117 360.631287 243.137558 1320.641968 245.15329 469.712891 246.184357 1009.372986 253.122025 982.090515 261.148102 846.645386 271.132874 7738.354004 274.215851 1152.551025 288.232544 966.704773 289.143158 1500.043945 333.231476 378.484009 340.226227 1271.036987 422.269257 3910.760986 452.315582 1643.988037 478.295288 1544.63501 496.307678 350989.09375 497.404297 495.725311 END IONS BEGIN IONS TITLE=CCMSLIB00000081104 PEPMASS=357.243 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B18A05_Dictyoceratin_C [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081104 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081104 SCANS=1 105.069946 20.61104 106.042442 60.51601 107.08316 24.01981 108.052147 18.62986 108.057892 26.58432 109.062187 11.41473 119.046402 16.789 119.084518 14.8428 121.06469 2498.452881 121.100365 56.236858 121.106117 19.41637 121.176102 10.27038 121.212814 13.6514 123.08017 394.22821 123.114273 24.08536 125.09256 19.12195 135.079178 40.25721 135.117142 11.28259 139.074921 20.75535 147.042267 10.01524 147.119156 22.42528 149.055634 13.31027 149.069336 30.402781 150.065414 42.283859 150.099823 10.47024 150.214386 10.59188 150.389084 17.687441 151.032516 15.34004 151.075104 8201.610352 151.127762 64.725418 151.143219 56.63937 151.173508 16.169109 151.184311 39.592571 151.224106 17.3552 151.245193 16.442039 151.276505 13.69798 151.299622 14.23201 151.358871 19.157709 151.371399 17.83259 151.386902 15.95314 151.422409 12.02047 151.436127 23.517811 151.510788 12.62378 151.554352 10.62394 151.614883 19.069639 163.10907 52.75808 164.083939 14.66987 165.063858 11.72178 165.089981 43.467609 173.094131 12.85604 174.100113 10.03748 177.089951 22.440571 177.123535 13.23054 177.161865 14.4471 179.10463 42.26683 187.14917 19.182119 190.097183 12.96511 190.132217 10.62644 191.143585 11.21977 191.17659 12.83482 201.087769 13.34743 203.1064 27.249599 205.158417 347.158691 219.134949 10.2738 233.145004 10.35689 240.110336 18.70042 257.147278 11.82662 269.149353 17.170971 339.232025 103.667099 357.117279 11.69621 357.135895 15.47716 357.242188 1133.604004 357.34201 12.13364 357.471497 18.65337 456.307159 12.40749 END IONS BEGIN IONS TITLE=CCMSLIB00000081105 PEPMASS=375.199 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B04A18 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081105 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081105 SCANS=1 146.071533 161.535095 151.057404 233.164597 155.014008 932.176514 168.021317 185.734604 179.05191 441.635803 179.104263 162.759399 195.047119 954.799011 195.08284 1284.432007 196.055664 369.905304 211.078232 21141.070312 211.142654 245.206497 263.075653 217.025406 287.109802 619.887878 302.132812 1137.495972 315.137726 267.916107 319.135193 4685.544922 343.172028 2446.791992 358.195496 22551.710938 372.859589 235.267395 372.971039 258.087891 373.048401 181.684204 375.198792 161495.203125 375.894043 282.647186 375.962952 395.110596 376.009491 253.495193 376.046448 275.015503 376.080902 241.365005 END IONS BEGIN IONS TITLE=CCMSLIB00000081106 PEPMASS=623.225 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B15A16 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081106 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081106 SCANS=1 114.926849 28.319229 116.9086 998.919922 116.924919 31.023569 118.924294 2712.677002 119.909409 111.676697 119.925461 873.867981 120.907936 131.830002 120.92408 6552.288086 126.927353 30.93891 130.924973 75.731087 132.923676 88.143372 134.924835 59.904942 144.940094 83.756393 145.940231 27.737511 146.940079 118.878998 148.939575 77.511833 170.989136 121.119102 172.971268 606.834473 173.972977 244.541504 173.987213 40.8522 174.986908 12410.05957 175.043777 32.681992 176.046951 26.58613 176.986893 24727.400391 177.043793 41.92503 177.262848 24.940281 177.320847 27.696699 178.939804 27.310539 179.044617 52.441929 182.989777 88.557617 227.052429 71.150841 229.047195 59.412449 230.052277 32.89719 231.049789 16565.210938 231.114746 27.073311 233.114792 29.46409 233.26619 28.94903 233.405502 33.941341 233.66806 26.19392 235.050354 5579.101074 235.118423 46.252022 239.052979 44.728062 275.037079 116.422401 276.040039 59.970242 277.039154 281.033508 277.043854 33.90733 283.040161 35.455639 283.116974 36.939129 285.110291 29.061741 287.111877 8769.842773 291.072174 39.987419 291.112885 3082.030029 295.115051 46.404709 623.125671 26.55517 623.224121 11509.889648 623.621643 62.76725 623.670532 46.974121 623.730164 80.290733 623.824219 91.778152 623.886841 61.334942 623.992615 38.551701 624.460083 28.606871 END IONS BEGIN IONS TITLE=CCMSLIB00000081107 PEPMASS=523.327 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B07A20_Dihydrosiphonasin_B [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081107 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081107 SCANS=1 109.101685 197.409195 111.079674 52.50436 111.117538 76.388428 113.058601 62.014469 115.074966 39.628181 121.099266 52.54631 125.094696 73.348427 127.111259 169.722794 135.083878 45.009338 135.115692 41.79987 137.094147 184.356003 139.110519 61.65625 139.152069 33.122551 147.113342 59.056252 149.129929 102.896202 151.110413 597.885376 153.088928 296.80899 155.106232 113.972397 156.107437 40.788422 163.110672 43.700329 165.126251 59.742722 167.142532 606.711609 169.084976 33.390739 179.105301 136.611099 179.135849 28.762449 181.121643 257.740387 187.148239 29.151409 191.09787 40.920212 193.121506 155.400299 205.156815 37.66819 206.149475 40.171082 207.103241 270.521606 219.139633 98.398643 221.151215 73.213074 223.168808 205.385101 225.108887 119.490097 225.230347 28.194441 237.109741 57.21447 237.148361 1533.267944 241.178345 294.304688 251.160416 143.571396 265.14325 6809.044922 265.212189 86.021393 265.230621 51.67115 265.356812 27.16923 265.379852 30.40729 265.408325 26.133289 265.45752 29.59375 265.575653 27.903959 265.594238 53.00531 265.824127 35.791119 269.173401 32.32835 277.177612 484.078705 289.181915 48.912128 293.167267 33.82671 303.15741 75.030327 307.179962 87.404694 315.130951 31.694559 315.204346 32.46983 321.169464 1048.214966 325.202881 72.018356 333.206238 222.827698 339.178467 599.228516 343.216827 45.005119 351.220642 56.05785 359.176636 29.293449 377.128662 45.05798 377.155823 31.120199 377.194183 375.792694 389.227448 163.208206 399.208252 33.970119 401.237427 47.17025 407.24173 121.958397 411.240479 29.501249 417.222656 142.7285 427.236298 61.874531 429.26358 72.004463 444.61792 43.34145 447.229034 52.251789 447.267487 244.813202 449.288544 45.102249 451.284607 28.51042 469.292023 446.9888 487.306458 2481.685059 487.539276 43.053909 487.642456 26.475201 488.441437 28.806589 505.316132 9042.599609 505.591003 35.405602 505.668396 34.55492 505.760315 53.346111 506.028778 32.693722 507.140076 27.174009 523.293701 37.602428 END IONS BEGIN IONS TITLE=CCMSLIB00000081108 PEPMASS=447.332 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B23A33 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081108 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081108 SCANS=1 111.109154 19.7215 127.106407 16.59384 128.05957 22.045219 129.091003 22.90115 171.096283 25.56284 171.137283 2915.974121 171.193253 14.42405 171.209122 18.80228 171.230896 15.25047 171.272125 23.524111 171.287354 19.758869 171.318375 13.92776 171.337723 15.41355 171.353302 14.23084 171.382065 13.73723 171.404617 35.780392 171.420822 21.87438 171.433853 12.05476 171.452744 10.51378 171.481522 25.43738 171.495468 11.30682 171.512222 17.50861 171.712082 15.74237 327.290649 15.22883 402.29837 13.15423 406.040466 10.8282 413.278778 11.8976 429.28949 13.02703 447.257355 30.229389 448.35379 13.92771 490.857452 10.88034 END IONS BEGIN IONS TITLE=CCMSLIB00000081109 PEPMASS=329.212 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B02A15_15_nor_9__10_deoxytridachione [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081109 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081109 SCANS=1 105.068199 171.655502 107.083008 172.608902 109.064613 125.8759 109.100037 56.115211 117.069572 23.39501 119.046349 20.703489 119.084564 216.009094 121.063309 25.14152 121.100418 48.436691 123.080811 51.980469 123.116867 27.87133 125.055016 34.98999 128.060623 11.69847 129.069107 55.893242 131.085388 53.1325 133.065887 75.699768 133.099411 160.037903 135.076126 32.920109 137.093216 28.876141 141.066116 16.816601 143.084198 78.550583 145.063965 27.56601 145.100479 134.715195 146.069016 34.054352 147.080231 42.97617 147.114014 53.626461 147.120224 20.675211 149.094025 65.089317 151.108231 17.64884 155.082809 77.579033 157.101562 105.138802 158.107452 41.356491 158.176819 10.82832 159.0746 34.728119 159.082016 19.32135 159.114563 77.78775 161.095688 129.108307 163.10762 21.24255 165.069366 54.739029 167.084137 49.04657 168.098083 15.55172 169.099945 138.501907 171.115479 51.071869 173.096008 60.101009 173.124786 12.79113 174.134232 15.86806 175.110641 108.326401 180.087097 11.83175 181.099487 103.9739 183.079041 10.83226 183.113144 165.042603 185.096283 23.926439 185.130722 97.374733 187.103256 15.02125 187.112778 46.514881 187.143753 18.26376 189.125198 10.61343 195.116333 141.986801 197.091675 17.01828 197.134354 34.383091 199.113174 64.220543 199.146805 65.431648 201.124771 63.553581 207.118103 36.43549 209.131699 134.719803 211.150284 98.655823 213.128555 27.940611 213.161163 43.793308 215.135544 17.915871 215.14888 22.245831 221.134796 19.492319 223.107895 11.20894 223.148468 67.485863 227.102371 20.54171 227.135025 16.232809 227.1763 30.382151 235.147614 27.282089 236.150833 18.88924 237.165039 13.47302 239.140732 69.447647 241.159195 22.257219 241.194489 123.823196 243.135925 10.82649 246.13559 14.99118 251.180328 102.461403 269.189911 115.3806 271.167786 16.25428 297.18042 10.77983 329.217163 22.292259 END IONS BEGIN IONS TITLE=CCMSLIB00000081110 PEPMASS=309.243 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B12A36 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081110 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081110 SCANS=1 101.059906 99.840721 105.070122 564.35968 107.085342 688.014709 108.057129 82.370987 109.064522 601.125671 109.100945 1845.717041 111.04261 62.59766 111.080238 1259.848999 111.116814 1825.296021 113.059341 291.975494 113.094582 81.844414 115.110893 115.307899 119.084892 460.3573 121.063332 64.340118 121.100716 849.322571 122.071457 153.643295 123.080032 1027.687988 123.1166 938.612671 125.059265 191.411301 125.095673 408.793793 125.132317 719.003174 127.038933 191.158005 127.074982 1709.468994 129.053558 99.187592 131.085648 90.652481 133.063553 80.06778 133.100418 491.614685 135.080383 383.487793 135.11618 589.094421 136.088623 179.007904 137.059067 112.597298 137.095581 1860.937012 137.13121 455.685394 138.064957 63.315731 139.07489 1676.400024 139.110336 294.143494 139.147644 330.755188 141.09079 139.558701 145.101456 59.633041 147.116409 327.710388 149.096024 498.075714 149.131805 174.957703 150.104202 396.61731 151.074905 1350.196045 151.111206 2477.782959 151.146942 418.983398 153.090424 1820.427002 153.125687 140.369705 155.068771 95.419144 155.105286 107.754402 159.11647 86.45929 161.095245 310.927704 161.132431 228.862198 163.109772 122.732597 163.147293 71.649452 165.090088 389.159912 165.126984 352.286407 167.105576 125.952103 169.085464 732.106201 169.121017 223.774307 173.130753 81.796967 175.111008 307.18399 175.147171 333.37149 177.127167 410.29599 177.1633 59.01123 179.106247 1949.113037 179.141739 250.183395 181.12233 112.822197 189.127518 130.675598 189.162491 129.082993 191.141785 117.528801 191.179001 706.956604 193.122055 694.38092 193.158188 177.073196 195.137558 247.708893 197.116669 147.370193 201.162872 64.306953 203.142349 431.258698 207.139023 160.891403 209.153046 81.072906 209.189545 536.213074 217.157822 102.181099 219.172897 92.346039 221.15358 428.43399 231.209717 106.022499 235.170105 126.846901 235.206772 60.777531 245.225388 149.457993 249.219635 445.593811 255.208191 65.576187 263.236908 8062.353027 267.232147 18276.439453 273.221375 436.326202 281.246643 264.207214 291.231537 2925.856934 309.242554 4382.225098 END IONS BEGIN IONS TITLE=CCMSLIB00000081111 PEPMASS=647.084 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B19A15 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081111 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081111 SCANS=1 122.070953 11.36794 136.085541 24.01968 147.759018 10.45638 148.086594 2057.154053 148.156235 11.18191 148.373077 17.28718 159.970932 14.55556 160.084885 356.691986 160.248596 11.36634 161.067703 13.97042 172.090347 15.96296 184.083679 11.58781 185.953796 270.240906 189.109436 37.72369 191.091263 35.724609 199.097931 17.05596 201.110458 26.826691 203.090973 63.064571 213.103149 29.699579 214.10498 44.404041 226.108261 10.57754 227.097061 15.4922 229.118256 218.328995 231.134308 74.875999 241.116898 24.55978 242.126465 22.716459 243.133774 58.039822 258.141327 15.75766 274.144226 41.08786 286.135651 28.023121 336.040558 14.51724 350.062622 18.22077 358.923798 11.33686 362.05954 43.66045 374.05835 16.83074 428.076721 12.24893 431.086182 11.19756 433.102417 68.194366 443.088013 49.404991 445.103119 126.301003 469.188232 10.00198 488.116333 131.108505 564.031921 58.334579 631.148987 10.83288 635.139404 10.11138 642.835144 20.358801 642.930847 11.47477 642.997314 11.26732 643.139038 26.57424 643.180237 10.13052 643.264038 16.815439 643.943359 12.37305 646.983093 11.49932 647.082947 2848.126953 647.286926 43.350349 647.32135 22.07445 647.390137 16.347389 647.46106 50.361111 647.499878 36.734211 647.580078 15.16837 647.655701 34.684879 647.697266 29.5909 647.725159 17.62759 647.864258 25.57593 647.919922 34.593819 END IONS BEGIN IONS TITLE=CCMSLIB00000081112 PEPMASS=395.367 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B10A30 Faulkner legacy library looks like sterol or lipid needs to be verified [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081112 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081112 SCANS=1 105.069344 352.466187 107.086815 241.116699 109.101875 133.835495 111.112167 35.667019 111.118553 215.329895 113.129997 36.878391 117.070297 34.28886 119.085373 139.820099 121.099686 33.311531 123.116096 70.1838 131.0858 269.555115 133.100861 264.8172 135.115921 157.873901 137.132141 126.244598 144.094986 13.12004 145.100555 355.920898 147.117645 160.3022 149.132111 89.363007 151.145966 66.300827 157.097855 20.375 159.115875 530.507629 161.131668 86.659081 163.146988 55.98048 165.166245 35.355801 166.163956 21.501181 171.116653 60.25975 173.12912 92.996292 173.351639 14.1944 175.148697 30.858971 177.129242 18.39801 177.164307 55.58453 179.184326 13.57407 185.130707 122.485298 187.147797 171.697693 189.162903 34.771431 193.194839 25.95569 197.133469 23.84322 198.134018 21.85795 199.147217 100.415497 201.162872 138.709396 201.693024 13.44485 203.185638 17.74486 206.040451 38.612949 207.211624 33.9818 213.142273 13.8867 213.16272 136.394501 215.176407 92.293571 217.188843 16.42034 219.209335 23.003361 219.673523 14.44531 221.231491 19.514469 227.181671 63.501801 227.401062 12.15504 229.192596 42.453991 235.234512 34.707169 241.196335 41.751381 243.171509 16.26552 243.218201 12.94371 247.246124 27.27607 247.468246 11.463 249.260529 41.81115 253.188675 13.93219 255.208374 180.959595 261.258667 102.105103 267.205566 24.319639 269.223816 41.393791 271.239594 11.51571 275.277618 24.75882 281.225128 23.85067 283.239685 46.150742 287.272308 29.071569 289.284454 23.359501 290.289459 24.697241 297.255829 66.227547 299.271942 34.392029 301.28656 42.620708 311.266724 25.58176 313.283905 70.192818 315.301727 11.47732 327.30368 60.552261 329.31958 80.964241 342.318878 19.7279 358.696533 22.935419 395.266479 12.95139 395.310181 32.933601 395.364777 968.48761 395.701324 30.774679 395.94751 12.70576 395.988983 13.11495 396.080536 18.53471 396.185028 11.20668 396.598358 16.69919 END IONS BEGIN IONS TITLE=CCMSLIB00000081113 PEPMASS=525.405 CHARGE=2 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B26A11 [M+H]2+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081113 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081113 SCANS=1 100.111908 10173.110352 105.069672 2406.864014 107.085258 4780.362793 109.101166 2480.697998 111.079941 266.161011 117.069794 440.362793 119.084816 1688.505981 121.100723 2793.13501 123.116501 719.768311 124.112045 3368.614014 125.0961 273.379089 126.090706 2453.841064 128.106354 508.240692 129.069595 310.695312 131.085052 1500.983032 133.101089 2431.197998 135.11647 4586.904785 137.131668 202.394302 142.12265 104818.898438 143.085068 881.196716 145.100693 2968.395996 147.116394 2594.812988 149.131973 1280.68103 150.127228 533.400085 151.110458 300.173798 152.106049 216.581696 152.142593 449.298706 153.125793 211.238998 155.084244 701.393921 157.100861 2643.914062 159.116287 1889.727051 161.131638 1902.619019 163.147171 725.297913 166.122253 2363.274902 168.101166 300.087006 169.099472 426.301514 171.116547 1303.844971 173.131866 1407.13501 175.147369 2148.925049 177.162903 453.331207 183.115814 490.61911 184.132416 787.478271 185.132263 731.926514 187.147934 1681.234009 189.162674 2051.093994 192.138 1039.666016 194.153778 1201.133057 197.131042 728.656921 199.147537 5093.314941 201.163193 1852.229004 203.178604 1154.686035 210.14743 1022.994019 211.147232 615.76532 213.162918 3426.025879 215.178787 1740.488037 217.194061 711.308105 225.164047 614.378113 227.179291 1514.587036 231.173553 381.062714 237.163483 366.11911 239.179443 237.672699 241.194229 499.989685 251.178268 620.772583 252.186752 326.478485 253.194443 951.069092 255.210144 858.184326 265.194244 999.495789 274.215698 208.1371 281.224945 757.551086 283.241394 7089.148926 297.256622 556.192383 307.241974 5857.365234 312.232697 335.40979 314.247467 385.823608 324.231873 816.440918 325.252106 1775.317993 342.279053 1526.373047 366.278412 760.815918 384.290039 36991.300781 389.321442 254.837296 406.34726 782.770325 448.356598 573.419006 465.384033 15893.129883 483.394592 227.966202 507.394623 19537.939453 525.406311 174413.40625 526.505676 290.648712 END IONS BEGIN IONS TITLE=CCMSLIB00000081114 PEPMASS=317.212 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B16A03 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081114 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081114 SCANS=1 105.070038 1024.624023 107.047775 62.881802 107.085136 1788.557007 109.064262 586.371826 109.100716 1487.730957 111.079979 311.451599 115.053314 182.678101 116.061401 117.849899 117.069878 329.955902 119.085304 6994.295898 119.131424 71.023941 121.063751 130.947205 121.100685 515.164307 123.080063 1274.75 123.116241 933.141296 125.058197 60.50016 125.095375 201.495407 127.110207 151.808807 128.06221 87.235382 131.085663 787.832214 133.064148 212.787704 133.100677 3280.052002 135.078705 224.379807 135.115906 255.627502 137.058365 70.571167 137.094818 180.931107 139.111465 495.437592 141.069427 67.3536 142.075806 111.1203 143.08551 229.267899 145.1008 663.809875 147.079361 56.665169 147.116074 411.559387 149.095673 753.074524 149.130692 140.918304 151.073456 211.882996 151.111511 2165.349121 153.088501 57.001701 155.083572 170.100998 155.104553 87.416542 156.093826 64.094063 157.100052 313.619202 159.078842 139.073807 159.115936 218.227203 161.094849 178.436996 161.13269 101.105598 163.038483 77.125816 163.112991 91.716232 165.126221 385.506104 168.092514 95.413254 169.098892 217.563995 169.121918 4953.756836 170.106094 115.241798 171.11615 135.150406 173.095978 87.15699 173.131866 117.684303 175.112 107.4645 181.101181 68.29911 182.106796 54.44199 183.116959 283.911011 185.130814 348.304993 187.110458 100.188904 187.145721 193.7314 189.125854 104.759201 193.122269 301.348511 195.115891 124.645798 197.131058 316.713287 199.109833 94.320824 199.146286 110.782898 201.122818 77.831467 209.130615 130.653 210.138611 60.26017 211.128906 57.465439 211.145203 340.764404 213.125488 150.716705 213.162643 134.719803 221.130417 85.55014 223.143982 128.501404 225.125763 92.131897 227.14415 70.346573 229.120941 85.384598 229.158386 726.603882 239.142868 167.652298 239.176712 76.203392 241.156433 70.927963 253.194138 668.528992 257.150665 113.810402 263.179077 96.740448 271.164856 75.83194 271.204559 542.571411 281.190094 357.468689 289.213562 55.102249 299.19928 1890.770996 317.210541 4933.10498 END IONS BEGIN IONS TITLE=CCMSLIB00000081115 PEPMASS=415.248 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B04A38 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081115 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081115 SCANS=1 113.056358 98.672028 119.083504 105.022903 123.078773 99.442352 137.092529 176.641495 151.074005 61.54174 151.110718 1041.154053 152.08049 60.265759 165.088837 249.211594 166.097946 885.544373 179.105576 871.123108 179.141693 1511.44397 180.114075 7298.0 193.122818 388.666809 207.100464 147.922699 207.134918 1159.162964 208.144577 7254.067871 208.204758 72.725327 219.136337 78.546638 235.130341 745.743408 303.191376 124.6101 329.165924 67.064262 330.174164 79.346527 331.18924 3621.275879 387.251282 347.033112 412.624176 58.358212 412.641174 64.660019 412.693268 65.858421 412.733154 135.038498 412.792969 206.524399 412.854736 64.265312 412.92218 106.4851 413.019073 70.00605 413.093109 68.682449 413.179932 79.005096 415.125671 298.328888 415.247833 56683.179688 415.332642 134.153503 415.435181 88.02713 415.857178 128.341904 415.971558 71.514137 416.068634 262.696808 416.47345 79.75705 416.522461 66.343117 416.552032 64.9375 848.541626 127.085999 END IONS BEGIN IONS TITLE=CCMSLIB00000081116 PEPMASS=209.156 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B08A23 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081116 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081116 SCANS=1 107.085472 3146.304932 109.101189 56112.53125 121.101028 2707.094971 127.111557 1473.102051 133.100693 1712.077026 135.079575 884.7854 149.13176 5352.36084 151.111099 679.460693 173.131653 1668.730957 191.142731 1393.152954 END IONS BEGIN IONS TITLE=CCMSLIB00000081117 PEPMASS=321.243 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B10A14_4__11_dihydroxy_1__12_oxidocembratriene [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081117 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081117 SCANS=1 101.057899 65.295837 105.070053 703.16803 107.085258 1943.228027 109.06498 505.972809 109.100761 1169.75 111.080193 400.462799 111.115562 71.403358 113.059158 492.250092 113.095985 321.092987 117.070557 87.272903 119.085098 726.677002 121.100883 1087.152954 123.079376 285.243011 123.116646 591.821228 125.060127 70.168983 125.095016 207.519104 127.075134 555.537415 131.084885 347.802094 133.100922 884.633484 135.0784 97.79911 135.116608 1146.853027 137.095932 155.689102 137.131821 1259.207031 139.078064 122.367203 139.1091 181.509003 141.091141 475.354614 143.084885 169.727295 145.101028 591.149292 147.078354 73.602867 147.11647 1115.875977 149.097321 152.025101 149.131958 779.589783 151.110138 252.394806 153.090485 1948.280029 153.125946 70.928131 155.083633 147.670197 155.105164 66.459999 157.100662 194.073898 159.116348 701.760681 161.095917 127.756104 161.132309 727.515381 163.110886 221.183395 163.147568 1846.5 165.090591 98.467377 165.12561 142.701904 167.105881 221.029999 169.101181 193.797501 171.115265 361.679291 173.132568 608.849121 175.108932 76.616547 175.147034 483.066315 177.125916 241.463699 177.162476 135.919098 181.122452 185.646606 183.096375 96.046356 183.114975 192.474701 185.130951 203.763199 187.147903 533.636475 189.124863 106.6007 189.163498 827.676208 191.143387 80.954376 191.176483 112.306297 197.12915 199.167496 199.148651 245.582596 201.16394 408.613708 203.140213 137.463394 203.176697 194.822495 205.157303 101.946503 207.137848 79.110298 211.147064 261.165009 213.161407 241.351898 215.143967 106.540001 215.177017 240.340698 217.153702 82.163902 217.197327 63.181141 219.135071 109.011299 225.163773 342.139801 227.177399 273.962402 229.160751 269.795197 229.19278 258.232513 231.171555 109.401901 233.148727 87.745171 241.194809 254.0495 243.174103 212.257004 243.210846 150.253906 245.188354 132.251602 247.164917 187.669296 257.189606 89.335991 257.227631 211.335907 259.204102 96.923126 267.209412 428.289398 275.233612 103.012001 285.220764 841.799683 303.230621 1273.519043 321.194214 104.450203 321.242371 13405.75 321.318024 61.368999 321.531891 85.342056 END IONS BEGIN IONS TITLE=CCMSLIB00000081118 PEPMASS=379.249 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B10A36 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081118 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081118 SCANS=1 105.069786 6698.77002 107.085571 10994.030273 109.064659 4334.369141 109.100891 6179.928223 111.044083 3139.658936 111.080338 3524.766113 113.059456 2250.818115 113.095734 3748.004883 117.069557 2261.305908 119.085297 5726.796875 121.064789 1610.583984 121.100777 7758.01416 123.080025 5468.39209 123.116272 4980.911133 125.095917 2570.110107 127.075401 2570.023926 129.06955 925.542786 131.085388 5769.833008 133.100876 6463.668945 135.080307 1748.467041 135.116501 5714.832031 137.095978 3648.378906 137.132278 5124.86084 139.074905 1050.532959 141.09053 2785.623047 143.086105 2887.050049 145.101273 5078.969238 147.079834 1200.904053 147.116409 8710.202148 149.095779 3480.155029 149.132645 3625.153076 153.089996 1896.453003 155.084915 997.320129 157.100815 4061.781982 159.116486 6576.160156 161.095566 2628.479004 161.13205 6866.871094 163.11116 3119.624023 163.147812 3218.146973 165.090836 2197.231934 165.126785 2697.595947 169.100449 2039.159058 171.116211 3784.679932 173.095108 939.41217 173.131943 4254.916016 175.111404 3096.104004 175.147324 3287.332031 177.126968 5931.813965 177.161163 998.263916 179.106445 932.065674 179.142731 2769.354004 183.115524 2765.873047 185.131912 4347.280762 187.11116 1225.088989 187.148132 5266.673828 189.127396 1560.991943 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TITLE=CCMSLIB00000081119 PEPMASS=303.232 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B16A02_9_Hydroxydolabelladien_6_one [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081119 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081119 SCANS=1 103.0513 16.386419 105.069504 318.843506 107.085274 1406.272949 109.063995 122.7491 109.100624 649.234985 111.080254 56.7859 111.1166 28.441509 113.095703 85.75029 115.053703 19.20454 117.070129 53.78392 119.085289 1712.644043 121.065208 23.198099 121.100868 523.314514 123.115997 213.618607 125.10054 20.260889 125.132401 43.302662 127.111069 162.482101 128.062225 19.53298 129.067642 24.25614 130.078293 21.369591 131.084854 87.60424 133.061966 13.46805 133.100357 367.601288 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49.778259 217.195663 41.458328 219.171875 12.74163 224.156036 13.51369 225.163681 16.927891 229.148788 12.67408 241.192719 11.61068 243.175201 15.46841 243.206665 29.604891 257.225647 318.013306 261.183319 38.433121 267.173004 11.36698 267.210541 105.077698 275.235382 129.0569 285.220612 167.642105 303.231689 2627.395996 303.523682 12.4725 303.576141 17.320021 303.632294 15.94245 END IONS BEGIN IONS TITLE=CCMSLIB00000081120 PEPMASS=241.109 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=2_de_N_methylaplysinopsin [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081120 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081120 SCANS=1 101.038254 457.763489 102.046181 662.660583 103.054214 4448.416992 115.054077 8250.572266 117.067757 3915.952881 118.065079 2530.264893 124.05027 2013.359009 127.0541 6894.057129 128.049896 5115.208984 129.057465 10540.919922 130.065384 103451.101562 140.049042 1743.827026 141.056839 587.119629 142.06488 4066.903076 143.072617 6352.838867 144.080765 33875.449219 154.064896 22293.619141 155.060593 44669.910156 156.068344 84921.171875 158.05954 542.156799 167.060211 2611.711914 168.043549 825.489197 169.075653 5150.417969 170.083191 2537.667969 171.091644 55220.109375 173.106934 850.904785 179.060226 454.153687 180.055969 658.80011 181.067749 3801.959961 182.071075 4163.312988 183.055267 1096.534058 183.078445 8656.421875 184.062897 3789.428955 192.055344 536.031311 196.086365 4449.101074 197.070724 750.850525 198.095901 622.90863 198.102341 13338.099609 199.086395 6601.640137 200.081879 16398.169922 209.057999 2214.585938 209.081284 6788.829102 210.065689 1890.662964 213.1129 4113.397949 214.097443 2296.197998 224.081879 5215.958008 226.085129 60905.929688 241.040878 465.073914 241.109772 411589.0 END IONS BEGIN IONS TITLE=CCMSLIB00000081121 PEPMASS=246.099 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B01A23 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081121 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081121 SCANS=1 100.050377 334.649597 104.049515 7553.771973 106.065247 20708.560547 106.109657 215.938095 108.042206 218.790497 109.039154 265.02301 111.055908 146.768997 112.050522 5580.297852 116.049385 5362.39502 117.057236 1714.786987 118.06514 18133.179688 118.11187 142.888504 119.02301 357.014313 120.044174 3017.968018 121.075142 433.693298 122.070877 185.526596 123.041054 151.4245 123.05175 181.352097 124.049171 597.35498 131.060333 23958.800781 132.046997 2589.481934 133.040009 2673.707031 133.076218 62135.070312 133.357651 140.123001 134.060028 2404.604004 135.091187 1098.844971 141.044449 789.112122 142.05304 428.248108 143.060287 3883.700928 144.044449 12151.330078 146.071564 1824.676025 147.05571 62435.910156 148.086899 1936.932007 149.070496 4722.063965 156.05571 901.375916 157.062149 382.376801 158.07135 32461.710938 159.055557 60925.238281 160.086639 6035.557129 161.033936 423.579712 161.071579 18417.849609 162.090271 200.149307 165.065521 1329.682983 168.054428 1008.109009 169.038666 437.898102 172.050476 5007.98877 173.081619 1205.432983 174.065445 3471.081055 175.050613 37759.601562 175.097656 5657.770996 175.294907 185.153793 176.081604 7124.196777 177.069901 180.531006 179.054871 158.5112 183.065704 348.456604 184.049728 1042.855957 185.082138 2137.571045 186.066132 18695.070312 187.050537 58482.269531 188.067032 1856.220947 189.076141 3264.228027 190.084351 1895.102051 190.105103 419.213287 200.045258 4721.117188 201.076492 2129.356934 201.99794 138.490494 202.064209 239.539398 202.107025 270.82309 203.093018 34185.269531 204.077011 1143.505981 211.062714 409.620697 212.043945 480.308014 217.07254 14328.709961 228.087418 216.106506 229.071991 6238.120117 231.073807 182.489594 246.098709 3090.384033 END IONS BEGIN IONS TITLE=CCMSLIB00000081122 PEPMASS=788.888 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B19A23 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081122 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081122 SCANS=1 146.034225 35.041672 148.08429 57.935108 172.08699 15.91919 177.111298 74.338623 191.090515 42.761719 210.859009 16.028761 214.111969 21.71204 226.117905 11.04167 232.090744 64.083153 237.628418 23.379841 263.864075 56.306129 265.610931 39.00177 280.102142 24.6 286.623688 10.40278 391.1651 20.22283 451.975647 11.40167 513.497498 24.047621 540.063721 12.42424 770.852112 48.08548 774.007751 19.357559 788.882751 268.411194 790.029297 10.00245 END IONS BEGIN IONS TITLE=CCMSLIB00000081123 PEPMASS=311.113 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B18A02a [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081123 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081123 SCANS=1 105.068695 753.228271 107.04834 887.742615 107.085411 218.698395 109.027573 129.476395 109.064064 328.752014 111.043434 270.165405 115.054558 389.935791 117.069244 831.577515 119.047844 92.71051 119.084976 721.86969 121.026474 95.42749 121.0644 310.591614 121.099617 88.172127 123.043533 239.097794 123.079056 91.172279 125.059441 152.752502 127.038269 303.273987 127.051437 285.339813 127.075256 75.567177 128.060211 151.880005 129.069443 198.747406 130.077744 119.009003 131.084793 349.832611 132.056976 96.786827 133.062653 225.880203 133.099579 283.228699 135.043594 318.364014 135.078613 134.548203 137.02182 158.356903 137.058655 291.758209 139.039368 81.478737 141.069183 201.490601 142.075302 152.803696 143.084946 94.009979 145.063202 831.654114 145.100327 671.987 147.080566 439.214813 147.115799 840.593628 149.058517 83.057266 149.095123 184.369202 151.037491 296.699585 151.071518 81.578827 155.069626 422.370392 155.08287 95.429604 157.064224 71.841583 157.098602 251.464005 158.070999 145.2995 159.079086 158.673401 159.115479 215.853195 160.087891 79.672684 161.058746 632.626587 161.095779 296.437408 163.074615 642.393982 163.110199 174.006699 165.051819 75.919617 165.089859 153.884201 167.067032 101.500702 167.081909 96.666733 169.049744 105.926399 171.042068 70.322838 172.085846 94.368607 173.059113 253.803802 173.093109 173.593597 175.073578 121.712402 175.110992 865.107178 177.091095 77.698982 177.123505 114.677597 183.078857 188.775497 185.096191 262.980988 187.11145 560.675476 188.082932 89.594017 189.054642 513.257324 189.088593 94.554848 191.06958 162.400604 191.104095 106.938004 193.086105 90.474876 193.121246 401.254211 201.089081 425.604492 203.105347 879.089172 205.085083 129.968994 205.119415 166.544205 207.063904 97.420288 209.080124 96.130547 211.073364 101.955704 213.089539 143.405304 217.047821 76.423668 219.10144 235.832199 221.113632 141.609406 229.0849 328.371002 231.065338 69.611603 231.099854 450.183289 233.077911 103.078796 247.096375 670.940613 249.110046 373.932312 253.069183 258.452209 265.106323 457.023285 275.090729 223.744904 293.101959 546.572693 311.109772 289.121613 END IONS BEGIN IONS TITLE=CCMSLIB00000081124 PEPMASS=299.201 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B09A13 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081124 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081124 SCANS=1 255.172165 2025.187988 281.190399 12237.089844 299.201202 108300.0 END IONS BEGIN IONS TITLE=CCMSLIB00000081125 PEPMASS=301.217 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B16A05_9_Hydroxyisodolasta_1__3__5_14__trienone [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081125 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081125 SCANS=1 102.046288 21.57575 103.054207 180.214096 104.061607 144.670197 105.069611 406.135406 107.085114 178.943695 109.097656 16.999981 109.101234 67.573334 111.080078 28.891951 115.05365 67.078133 116.059494 20.09379 117.06929 359.212585 118.494873 16.492599 118.556976 16.261789 119.085495 14852.80957 119.132034 114.729103 119.146996 15.16954 119.210274 17.300989 119.218964 16.04644 119.233765 16.859871 119.241386 36.150539 119.256721 16.206779 119.271896 17.06419 119.285461 33.977139 119.295502 17.939581 119.318481 28.553181 119.343712 19.7861 119.354431 22.0546 119.378181 20.879499 119.422958 15.96417 119.433479 19.067301 119.453453 17.427231 119.482529 16.878269 119.510536 15.10687 119.585625 19.800369 121.063782 49.614128 121.101021 993.960205 123.08062 44.40221 129.068283 78.770897 131.084869 70.67511 133.099854 113.5065 135.079178 37.448441 135.116486 279.48291 137.095276 116.247101 137.131332 35.695351 139.075546 110.477097 139.110825 80.365997 142.075745 37.829498 143.084167 100.486298 145.100266 113.7836 147.079529 129.629303 147.115295 100.385803 149.131744 62.785801 157.100876 37.629021 159.115082 59.511719 161.095566 29.381571 161.130066 47.400349 163.072662 32.020889 163.111145 175.426498 165.090836 811.603516 170.106613 20.51671 171.115616 26.57902 173.09346 21.315359 173.131653 75.357941 175.148224 18.013189 177.124924 37.299999 181.100342 20.25638 181.121979 1229.823975 183.115891 16.11158 185.130463 112.224701 187.10817 41.345749 187.145477 58.570621 189.127167 51.992569 191.105667 17.67358 195.117935 17.530359 195.13736 86.115997 197.133209 51.168999 199.146362 78.94165 201.163956 28.16864 213.12384 42.22052 213.163956 54.791801 215.140717 24.05928 223.143829 16.889759 227.144257 16.629219 227.176315 19.219351 231.134979 28.39209 233.153046 19.4224 241.154999 26.897699 241.194733 181.157501 245.151138 15.78192 255.207184 106.413902 259.202515 74.648499 265.192169 33.682659 273.2164 30.36447 283.204224 207.138107 301.215912 805.011414 END IONS BEGIN IONS TITLE=CCMSLIB00000081126 PEPMASS=405.965 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=Dibromo_dimethylaminopropyloxy_cinnamic [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081126 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081126 SCANS=1 131.048462 112.709602 253.957184 186.942703 281.987518 366.830688 318.858673 214.456406 327.046692 292.94809 403.333099 114.120796 403.442444 141.955505 403.499939 113.746498 403.597626 133.723099 404.866028 140.023697 405.965759 103703.796875 406.668701 112.916199 406.769745 114.397797 406.802094 165.332306 END IONS BEGIN IONS TITLE=CCMSLIB00000081127 PEPMASS=381.168 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B09A09 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081127 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081127 SCANS=1 171.101746 48.72794 201.085861 32.878792 265.16571 33.234581 271.175507 29.004629 339.159027 929.201172 339.267517 11.63636 339.307251 24.280569 339.432434 19.844999 339.527618 11.5 339.778748 26.616631 360.030823 13.79779 378.615143 17.07143 379.215942 16.13636 381.167603 435.791504 381.286316 14.39286 381.732391 11.0744 382.103577 13.55481 END IONS BEGIN IONS TITLE=CCMSLIB00000081128 PEPMASS=199.133 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B20A07 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081128 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081128 SCANS=1 103.053383 57.513371 105.069649 137.237701 107.048225 95.277634 107.085114 965.206116 109.063049 24.696091 109.100586 371.730194 111.042633 61.9818 111.07991 116.134102 111.116402 19.489071 116.97451 10.23785 117.069275 42.30452 119.084488 112.170601 121.063599 167.662903 121.100044 299.196198 123.116394 83.611893 125.059212 85.883499 125.098404 10.75603 127.076447 13.15041 129.133957 16.35454 133.097397 10.11786 135.068573 11.3556 135.116638 1117.875977 135.479401 10.16407 137.096008 79.529831 137.131577 113.260002 139.073883 89.520882 139.108215 22.52146 145.100433 72.086594 148.086533 21.7358 151.110962 14.95062 153.092697 19.80706 153.125977 166.516098 157.996841 14.95971 158.14566 10.59262 163.110336 214.633102 181.121231 483.588104 199.129227 42.747761 199.16658 11.75755 END IONS BEGIN IONS TITLE=CCMSLIB00000081129 PEPMASS=215.201 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B27A12 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081129 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081129 SCANS=1 109.100327 134.699295 113.09481 38.732121 123.115463 126.152802 127.111191 627.652588 127.506508 11.05994 137.131241 86.262878 137.153778 12.5791 179.179306 70.037804 197.188492 311.857513 197.838974 10.8234 215.199326 58.453491 END IONS BEGIN IONS TITLE=CCMSLIB00000081130 PEPMASS=319.019 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=6_bromo_2_de_N_methylaplysinopsin [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081130 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081130 SCANS=1 129.056732 2895.095947 130.064896 1701.885986 141.056519 630.700378 154.052429 1191.947021 155.059967 5072.746094 156.068237 42638.980469 166.051178 266.547394 168.066818 416.050415 169.075455 263.33551 170.082642 192.084305 180.054855 368.693787 181.063019 770.919678 182.070648 400.851105 183.054535 251.746597 183.078705 4423.277832 184.062759 4712.553223 194.06958 176.2789 195.078415 895.679626 197.09198 225.289398 198.078247 260.755615 205.960312 166.049606 207.974533 624.930298 209.057465 696.141785 211.097488 326.617004 212.105255 191.889099 219.974533 231.479004 223.072861 431.225708 232.970703 5703.928223 234.986374 4004.291016 239.091248 792.829102 240.101074 143231.296875 244.968826 288.601288 246.984772 181.796997 258.972626 224.543701 259.981934 345.651886 260.965485 364.529907 260.987183 156.401596 261.997955 355.19931 262.980652 690.453308 273.997345 975.735474 301.991821 354.393097 317.290405 153.642105 318.924866 295.255402 319.019745 153250.40625 320.022308 2253.10498 END IONS BEGIN IONS TITLE=CCMSLIB00000081131 PEPMASS=263.165 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=O_methylfurodysin_Lactone [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081131 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081131 SCANS=1 103.05397 16.523939 105.069611 343.226288 107.048645 31.819731 107.085266 296.875488 109.064186 575.535278 109.099632 19.2351 111.043465 13.76508 111.080231 486.465393 115.052711 20.84465 116.060829 20.630569 117.069458 91.351143 119.048431 106.160599 119.085548 324.072388 121.063858 66.80471 121.100601 62.93671 123.044212 67.242058 123.079102 47.798321 125.057877 60.551159 128.061951 103.270599 130.077881 53.846088 131.08493 157.462204 133.064163 52.27002 133.100067 172.2052 135.043518 16.809561 135.0793 50.50124 135.115982 29.39506 137.059296 321.665497 137.098068 13.23753 139.074539 1160.593018 139.123764 10.86261 141.066605 29.46179 142.078125 65.746696 143.084824 257.887787 145.003326 16.408649 145.100861 256.376587 146.068756 20.295799 147.078644 103.819298 147.116837 85.357368 148.049545 10.01408 149.06102 23.73884 151.075455 64.854439 153.063263 10.77056 155.085617 39.804821 156.091461 105.917397 157.065033 24.95727 157.09964 124.991898 158.071045 24.481359 159.115982 241.879807 161.059189 78.917137 161.094818 73.575546 161.130951 204.395905 163.074661 64.96875 165.088684 24.000481 170.108276 54.162361 171.080475 34.319511 171.116486 146.911102 173.056976 10.87328 173.096085 22.385269 173.129654 15.59084 175.07457 179.036606 175.111282 25.620979 175.147415 187.680893 177.09343 26.93034 181.098953 10.13587 185.132141 309.927185 187.110214 13.2889 187.147079 261.574585 189.089737 85.110039 189.126694 102.508904 195.116165 18.430941 198.105148 20.71809 203.105637 30.82737 203.142624 384.403595 213.127136 196.373993 217.1586 51.735699 231.107727 10.01397 231.137497 3201.75 231.202316 19.570391 231.24762 11.21701 231.281509 11.70213 231.3013 18.738791 231.325302 11.11068 231.403748 14.61979 231.453674 12.38325 231.62233 14.95136 245.153488 273.875397 263.118927 12.85985 263.164276 483.743896 END IONS BEGIN IONS TITLE=CCMSLIB00000081132 PEPMASS=173.117 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B07A12 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081132 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081132 SCANS=1 100.196404 15.44464 100.422348 19.527411 101.05938 210.745102 103.041031 280.147705 107.180283 15.0747 108.473473 10.14286 108.520775 35.089291 108.726402 14.33523 109.10054 5537.584961 109.144478 29.00152 109.162956 11.18382 109.189819 32.098259 109.201096 47.605999 109.228394 22.128571 109.235664 15.15434 109.270958 26.02083 109.320648 24.26885 109.349884 10.5125 109.373863 14.52778 109.384781 12.13333 109.424507 18.860291 109.435898 53.169121 109.482231 12.16071 109.559486 17.055679 109.610466 11.64286 109.665108 21.61161 109.922623 12.77841 110.098694 12.52083 110.231041 18.82143 111.079575 49.22575 111.825348 12.52083 113.059799 123.584198 119.083092 33.260422 125.094734 83.630211 127.110123 44.005951 137.095764 677.143311 137.899429 12.00961 154.321991 15.01786 155.10527 200.353195 747.611572 23.21121 END IONS BEGIN IONS TITLE=CCMSLIB00000081133 PEPMASS=710.979 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B19A17 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081133 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081133 SCANS=1 110.070999 85.855743 122.072441 47.693581 134.069031 43.478531 136.087219 130.059097 145.073593 41.644531 146.070618 61.08313 147.080765 33.86631 148.086426 12039.919922 148.138367 55.636749 148.262436 30.908899 148.397034 26.613541 159.089706 29.854429 160.086334 1812.754028 165.109833 51.329769 172.085693 97.216408 177.113724 163.242798 184.08429 108.959297 185.955109 381.90921 187.097809 90.84771 189.111511 167.366302 201.113617 441.707397 203.091751 85.193176 214.107361 234.8246 226.106506 137.718796 229.118317 252.016403 231.134079 349.027008 241.11467 57.963181 243.133835 572.620789 244.119324 312.196411 260.158386 35.033661 274.141357 83.869492 286.142426 146.812897 303.165955 98.820679 348.043182 52.22049 350.059601 559.173401 362.057953 298.961304 374.057831 59.35482 379.092285 41.12093 386.060455 44.27813 391.088318 39.77631 403.0867 1750.63501 413.956848 41.733849 416.081177 36.77895 425.954437 49.043541 428.080292 70.911903 431.089569 70.120033 433.05545 29.074421 433.107483 1064.337036 443.084747 50.154621 445.108276 1349.265991 462.06369 38.793251 462.134918 3717.60498 462.385895 33.433701 462.66983 26.948669 488.11734 51.959381 552.009094 83.926628 627.930847 224.235306 706.218872 30.37014 706.286072 58.273079 706.402344 42.81847 706.468872 37.934189 706.532898 51.22546 706.590393 38.863781 706.66272 34.036839 710.850891 30.94902 710.9776 19022.5 711.107605 51.645618 711.168762 104.337601 711.246094 127.533401 711.312988 29.039261 711.352356 150.243896 711.430664 163.363495 711.503113 100.612602 711.578552 74.273697 711.647095 40.294281 711.712646 51.40366 711.795288 129.262405 712.122681 56.685669 712.477905 33.009529 712.86084 27.779079 END IONS BEGIN IONS TITLE=CCMSLIB00000081134 PEPMASS=279.16 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B14A05 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081134 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081134 SCANS=1 103.053688 96.015053 105.032768 102.495201 105.069611 1389.685059 107.048744 238.566101 107.085098 1566.275024 108.057213 88.564903 109.02813 663.311523 109.064339 1075.313965 109.100777 788.906616 111.043922 220.164001 111.079597 139.637497 113.057304 62.015781 115.053558 601.779907 117.069672 1623.61499 119.048813 642.089417 119.084854 717.691711 121.064453 814.475281 121.100441 696.009216 123.043564 105.339798 123.080025 1095.848022 123.115906 421.953888 125.059364 112.112602 128.062775 105.905098 129.069061 325.924103 131.084747 501.827789 133.064056 715.874084 133.100754 1055.347046 135.04361 203.803802 135.080109 2392.620117 135.115738 123.487198 137.059433 434.155212 137.095612 618.091309 138.103561 207.645798 139.111374 81.715714 141.054459 376.957886 141.068604 84.463493 142.077927 188.0121 143.085693 195.568298 144.091736 94.124481 145.063934 405.844391 145.100952 199.339294 147.045395 74.17643 147.07991 103.8675 147.116257 475.436493 149.058853 186.211105 149.095963 267.353394 149.131973 146.548599 151.038345 330.953705 151.074905 167.845703 151.111755 20431.990234 155.085129 87.215393 157.101349 464.470306 159.079193 109.612999 159.116409 453.628815 161.058487 124.948097 161.096069 290.597198 163.074753 2589.958008 163.14801 111.650497 165.055023 86.870148 168.091583 98.146477 173.094727 150.072006 173.13179 713.073486 175.11145 1030.713989 175.146667 87.194473 177.053833 76.873756 177.090103 132.549698 177.127182 161.065002 179.069427 222.265198 179.105347 123.405899 183.115067 195.155197 185.094925 97.026878 185.130936 101.064102 186.101624 74.440559 191.069443 299.159088 191.142487 1155.82605 195.099518 166.737 201.126755 1607.103027 203.10553 221.5327 203.14119 175.110703 205.084885 86.1092 205.12207 117.789597 219.102753 75.929169 219.137848 5201.778809 221.117111 6874.12793 229.121994 305.36261 233.153412 1223.390991 235.131561 585.524414 235.168213 68.519943 247.133163 1728.186035 261.147186 145.777893 279.159088 3049.256104 END IONS BEGIN IONS TITLE=CCMSLIB00000081135 PEPMASS=436.306 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B21A19 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081135 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081135 SCANS=1 105.069435 564.779114 106.03936 54.0788 107.049088 73.693626 107.08519 1606.93103 108.055489 50.337341 109.064262 713.394592 109.100609 1527.389038 111.080025 291.2995 111.116638 168.033005 117.040489 37.003819 117.068993 89.633781 119.085121 788.879883 121.064636 237.298004 121.100792 1561.340942 123.079895 919.794189 123.116486 739.336426 125.095253 374.192413 131.083664 89.594933 133.050888 202.501297 133.100098 405.015198 135.080063 2590.833008 135.115753 582.591125 137.094788 326.207489 137.131165 238.537506 139.110016 94.119347 143.083786 75.2901 145.100784 655.235901 147.07959 71.819946 147.116425 540.861511 149.095871 870.147705 149.131454 593.468323 149.248352 36.686901 149.358322 39.252121 150.051819 40.69445 150.077255 25290.650391 150.303131 58.20414 150.367599 64.664772 150.431274 56.41206 150.665878 35.792122 150.685364 38.282589 151.112381 117.681198 151.149124 153.426697 157.100433 247.032898 159.11644 386.599701 161.095627 192.876297 161.132523 314.27829 162.077927 150.297394 163.111328 626.806274 163.147064 419.161194 165.126846 172.875793 171.116394 193.221298 173.129868 259.856506 175.110779 81.653633 175.146362 267.074707 177.126694 173.609497 177.162506 689.158386 179.14653 72.845207 185.13089 139.272705 187.098343 44.55307 187.109467 67.002068 187.148224 478.597107 189.12471 46.548611 189.162872 391.492706 191.142014 217.370407 195.173584 90.623306 199.147934 304.924805 201.165161 146.199799 203.142487 182.978806 203.177292 150.3965 205.157791 1165.909058 213.163727 212.379395 215.177765 93.351067 217.157501 233.483597 217.192551 74.804169 219.169495 159.730896 226.162506 46.417831 227.18074 112.588203 229.192276 87.614014 231.173981 264.388397 243.110336 38.80616 245.227402 95.663307 259.240845 112.799202 269.225586 421.736298 287.236053 646.057373 436.306793 18519.130859 436.839722 36.208759 436.991913 38.873959 437.071014 39.94862 437.122833 47.6371 437.228027 54.516682 END IONS BEGIN IONS TITLE=CCMSLIB00000081136 PEPMASS=227.093 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=2_de_Nmethylaplysinopsin_B [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081136 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081136 SCANS=1 101.038162 1153.828003 103.054276 8087.099121 110.034637 628.424927 115.054062 6121.291992 117.057327 11443.629883 128.049225 6817.509766 130.065582 168398.5 140.049286 7713.480957 142.063721 4978.51123 155.060349 42342.148438 157.076309 165348.796875 165.043976 386.975006 167.06015 10143.19043 169.051453 287.780914 172.086304 493.446594 181.062897 718.831604 182.071274 21123.759766 183.055054 1027.615967 184.086487 8235.265625 185.070724 9108.90332 192.054855 331.046387 199.097183 2827.166992 200.08165 5515.744141 209.081467 1043.454956 210.066147 12578.929688 227.093796 264106.3125 228.095291 1799.026001 END IONS BEGIN IONS TITLE=CCMSLIB00000081137 PEPMASS=339.254 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B20A03 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081137 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081137 SCANS=1 101.058273 96.068443 105.068947 930.646729 107.085175 1982.54895 109.064682 958.429871 109.100571 1483.703979 111.080673 537.586914 111.115105 69.355019 113.058098 143.763107 113.096344 105.977997 117.067581 157.866699 119.084908 1040.625977 121.100685 1024.165039 123.080254 173.091293 123.116402 496.735809 125.059647 96.923279 125.095306 456.01181 127.075302 429.506012 127.110062 155.333893 129.068802 91.8554 129.090897 105.273102 131.084702 354.98999 133.100296 511.9935 135.07959 148.223602 135.116623 593.724426 137.094345 397.131714 137.131714 1698.983032 139.073914 120.647301 139.110336 124.994698 141.089798 243.651703 143.084625 222.3479 144.089951 82.014252 145.099823 631.659729 147.115753 1092.843018 149.094711 181.653503 149.131302 424.206787 151.111343 168.709305 151.1465 124.4645 153.09053 998.99823 155.084412 68.734818 155.106613 116.2845 157.083954 104.685799 157.100693 347.333893 159.116257 459.789795 161.13208 522.375977 163.110138 110.866096 163.147568 864.938477 165.088165 190.217102 165.124985 185.8246 167.105209 94.501266 169.098999 164.835403 171.103149 88.053917 171.115845 267.280487 173.09375 89.500458 173.131485 520.879395 175.110794 109.4356 175.147415 211.293503 177.126648 122.617203 183.115631 199.588806 185.130066 195.177704 187.111557 103.366096 187.147919 232.207794 189.125473 125.019203 189.163177 268.419586 191.141037 112.058899 191.178375 96.206841 199.148087 188.6483 201.125427 73.400078 201.163269 234.246994 203.141617 103.071198 203.181091 113.843002 207.174164 152.869705 211.145477 174.691406 213.16272 147.267807 215.177353 206.184692 219.172562 105.358498 221.150238 84.655403 225.162872 230.785095 227.179199 166.5896 229.159424 115.852303 229.194519 104.634598 231.171616 160.932297 233.153473 111.018501 241.190887 90.659821 243.207748 271.142487 245.187302 255.013306 257.226898 222.734406 259.203613 78.858681 267.209259 260.772888 285.221527 577.06012 303.230591 1590.452026 321.241608 1589.05896 339.253296 39256.101562 339.695007 72.912079 339.772705 100.805397 339.863434 86.893188 339.92691 69.927567 340.022614 88.972717 END IONS BEGIN IONS TITLE=CCMSLIB00000081138 PEPMASS=369.28 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B02A07 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081138 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081138 SCANS=1 105.126999 9.004902 106.042717 59.536942 107.085022 118.9674 109.065979 21.56522 109.098969 31.190929 111.116692 25.537201 119.083176 125.821701 121.062782 55.174789 121.100075 198.281799 123.11483 45.028671 125.095139 152.3759 125.169388 15.61742 126.064468 16.355261 130.07399 47.05238 133.063049 55.580528 133.099609 159.229904 133.114594 9.826755 133.455246 11.31373 135.080612 64.842491 135.116516 29.50794 137.090988 48.224998 137.123672 32.99094 137.131805 215.574097 137.435791 21.55864 141.217072 20.822491 142.073227 13.82828 143.082199 9.121212 145.066391 89.343292 145.095642 14.63712 147.082626 162.866501 147.118896 28.25185 147.206863 15.73563 148.238083 14.41598 149.096298 471.173798 149.129944 18.588539 149.307343 12.46944 151.113632 64.045097 151.146744 62.29052 155.083145 37.53933 157.104568 25.34864 159.115952 97.337349 161.098724 22.484591 161.125519 13.5375 163.073669 130.912796 163.148224 43.020432 171.07695 87.225098 171.114044 94.92157 171.196869 25.361111 171.508392 9.004167 173.132767 130.600693 174.351486 9.875 175.11026 246.867401 175.14772 104.010498 183.078125 39.71167 183.118011 16.633619 184.419678 18.185341 185.095627 56.67514 185.133881 48.037102 187.111618 74.370956 189.122391 19.628269 191.177307 351.639404 191.392792 21.06706 195.109238 18.25 199.108109 13.44004 199.153305 24.29554 201.122894 116.713997 203.142151 80.002731 203.18129 24.36458 208.115646 16.125 213.126358 90.575218 213.328171 15.49745 215.149765 20.38866 217.192825 18.62888 219.175003 71.392326 220.106812 19.682211 227.130859 44.604172 229.192719 49.78009 231.138138 38.41367 233.193161 15.34615 235.204559 199.924606 243.205933 25.830059 257.220032 23.13204 263.173248 57.666672 264.179352 44.785091 267.213928 35.41497 298.26239 15.125 313.217621 34.592739 333.266388 28.035709 351.211914 33.895321 351.26825 94.352867 351.406769 26.258801 369.267181 47.125 369.293488 98.993423 END IONS BEGIN IONS TITLE=CCMSLIB00000081139 PEPMASS=397.257 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B20A25 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081139 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081139 SCANS=1 109.063988 43.30793 394.690521 34.879688 394.730408 63.93169 394.767029 32.07851 394.809875 35.54808 394.854156 42.61771 394.889343 39.556 394.932159 36.10944 394.968567 31.816259 395.16626 50.71088 397.136322 120.872299 397.165619 47.227638 397.25647 27652.060547 397.342865 93.338249 397.503387 31.0756 397.568756 35.290989 397.59845 45.289928 397.718719 81.313133 397.777679 43.92384 397.886047 68.063538 397.91626 41.662769 397.943054 70.982368 397.971619 54.920799 398.019257 73.52137 398.052795 63.825272 398.114655 44.922131 398.181274 65.617493 398.317657 32.320789 398.363464 36.73711 END IONS BEGIN IONS TITLE=CCMSLIB00000081140 PEPMASS=291.114 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B28A24 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081140 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081140 SCANS=1 105.070663 10.60547 107.082901 27.04842 109.061829 13.31131 109.099487 30.246229 111.11525 14.57488 114.386375 10.00232 119.084419 16.272591 119.909683 130.413696 120.909035 2506.793945 120.919197 15.50227 120.954987 10.67297 121.925034 274.930786 122.924728 7114.161133 122.971809 53.61351 122.984528 23.228939 123.065025 12.7789 123.080048 15.20491 123.108322 20.17173 123.136154 11.43624 123.152809 11.80584 123.257782 13.83068 123.272865 14.09587 125.094597 33.556389 126.097878 14.8577 131.086395 29.562229 133.099411 14.26644 134.924835 96.823257 135.0746 10.02251 136.938477 19.549009 140.935211 19.00523 148.939102 59.658989 151.073425 15.80542 151.109467 14.10229 157.104004 11.37756 173.129578 16.141859 174.956192 14.97878 176.970917 592.768372 177.988525 144.238693 178.959579 16.654329 178.987381 5794.037109 179.044708 34.721809 179.106277 10.16858 179.118668 12.24479 179.20784 11.32184 179.218521 14.08429 179.236923 10.24819 179.270508 12.11203 179.29274 14.59784 179.317276 10.37723 179.640671 10.7641 199.074097 14.42051 215.143265 26.935169 227.175613 17.32604 233.152252 32.023411 235.050034 487.814392 255.17543 14.8581 273.186646 22.573629 291.110504 10.11461 291.153961 79.575546 291.192963 80.928726 END IONS BEGIN IONS TITLE=CCMSLIB00000081141 PEPMASS=797.19 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B23A08 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081141 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081141 SCANS=1 282.351196 28.790939 407.392883 26.58078 408.091675 28.04282 409.020081 26.145769 418.076813 24.903431 427.115692 26.29756 444.086578 126.561798 454.121979 25.376089 457.09024 88.600014 462.111267 39.89658 463.102814 41.440102 473.084198 55.008141 478.045746 30.890631 483.079163 26.602631 485.080963 182.959396 490.101562 135.129196 493.060974 136.381699 499.072083 121.386497 501.075043 52.300529 502.109741 42.63007 509.054901 346.931702 518.104065 39.076149 521.056396 40.632561 526.082397 570.44458 536.070923 221.041794 537.049683 202.481003 538.081116 1063.228027 544.148804 28.233549 554.076355 847.281128 564.060059 39.022419 580.125549 39.4674 582.071655 1152.43103 590.126343 87.684937 590.157776 101.476196 600.134827 32.807178 608.12677 102.007401 609.105286 27.825331 610.1427 47.690788 617.157471 25.219589 625.153015 114.872299 626.133789 1090.678955 635.131104 197.9776 637.095703 64.105888 638.128296 40.77306 653.14325 510.123505 653.961731 26.340879 654.129578 2124.166992 654.568665 26.093781 654.664551 26.650539 654.848816 30.67935 654.958984 26.272499 663.12677 28.13924 670.106262 32.74535 681.065369 25.66647 681.139282 1409.875 725.202454 1111.857056 726.297058 25.980209 735.180054 39.333069 748.655823 25.70142 753.129089 32.86084 753.198608 7386.60498 753.343628 86.642471 753.407959 88.78009 753.453796 61.563389 753.505676 54.352322 753.57251 64.357582 753.662476 79.209503 753.731384 31.368771 753.771484 29.231409 753.878174 65.105331 754.03949 45.73938 754.132874 39.45686 754.80603 45.008289 797.186951 3163.543945 797.294495 31.054199 797.447327 26.324789 797.580811 40.012501 797.598389 24.58774 797.729492 63.3745 797.992981 24.357639 798.540222 26.0711 END IONS BEGIN IONS TITLE=CCMSLIB00000081142 PEPMASS=225.196 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B26A24 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081142 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081142 SCANS=1 100.112389 44894.960938 101.115067 237.608704 143.117905 16430.5 223.972015 195.350006 225.12912 204.158096 225.19664 153809.5 END IONS BEGIN IONS TITLE=CCMSLIB00000081143 PEPMASS=343.239 CHARGE=1 MSLEVEL=2 FRAGMENTATION_METHOD=N/A COLLISION_ENERGY=N/A SOURCE_INSTRUMENT=LC-ESI-qTof FILENAME=spectra_from_json.mgf SEQ=*..* IONMODE=Positive ORGANISM=GNPS-FAULKNERLEGACY NAME=B24A24 [M+H]+ PI=Sirenas Marine Discovery DATACOLLECTOR=Sirenas Marine Discovery SMILES=N/A INCHI=N/A INCHIAUX=N/A PUBMED=N/A SUBMITUSER=mwang87 LIBRARYQUALITY=3 SPECTRUMID=CCMSLIB00000081143 USI=mzspec:GNPS:GNPS-FAULKNERLEGACY:accession:CCMSLIB00000081143 SCANS=1 105.069221 60.06041 107.059982 88.060654 107.085373 932.753174 108.043892 144.8013 109.028435 28.88987 109.100998 2519.180908 109.14666 20.20368 110.06041 21.407681 111.1147 28.28336 119.085846 81.265732 121.100845 1431.120972 123.054962 200.882599 123.115669 161.866806 124.038834 213.224197 125.070786 1697.452026 125.118095 15.4732 126.054916 637.229675 133.100632 58.495529 135.055557 263.684296 135.11647 1972.439941 135.118439 61.706989 135.166229 19.48608 136.038788 87.198311 138.053375 134.951706 147.114014 22.089769 148.123001 18.157749 149.132111 320.196991 151.014114 22.82303 151.049988 7531.926758 151.101822 46.424358 151.117249 22.00934 151.213028 15.74976 151.251511 16.04541 152.05928 32.059441 152.229568 22.417919 152.243973 18.624359 152.423447 17.078091 153.034714 18.314899 153.065826 15453.669922 153.117874 65.156967 153.135818 24.59643 153.18718 18.198231 153.220947 20.07362 153.261322 17.522949 153.272476 23.16836 153.294281 18.63224 153.306564 22.009359 153.333084 15.82928 153.351837 21.145361 153.365311 17.708521 153.463348 20.365459 153.499725 16.426399 153.512955 15.57502 153.529205 19.843941 153.566925 17.13678 153.710312 15.64189 155.081497 81.203217 161.13147 62.85862 163.146759 47.415588 165.064148 44.82132 167.08017 138.638107 175.145554 17.48386 177.161942 68.830887 179.079361 38.566662 181.093842 30.752609 189.163513 98.209824 191.178986 3377.493896 191.23761 34.352119 191.39386 17.863041 193.095062 38.041691 195.111877 42.0812 207.11174 45.926708 209.126785 17.83602 221.127869 22.85322 233.126877 28.15066 235.14299 22.795771 249.15802 27.25189 326.21106 66.265442 341.275909 16.468031 343.18222 26.48945 343.238464 12612.110352 343.710297 21.896299 343.738373 22.990271 343.781067 26.781719 343.82666 22.852779 343.869843 18.44656 343.907745 20.67902 343.936615 16.57576 343.967224 22.87785 343.997711 17.76273 344.116547 17.69673 344.153961 19.577829 END IONS