BEGIN IONS
TITLE=CCMSLIB00011428833
PEPMASS=407.15
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=9-hydroxycalabaxanthone [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=C/C(C)=C\Cc1c2C(=O)c3c(O)c4C=CC(C)(C)Oc4cc3Oc2cc(O)c1OC
INCHI=InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3
INCHIAUX=HQWHKELJHUFLGD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011428833
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011428833
SCANS=1
337.071411	6.0
349.071289	11.0
375.123688	4.0
377.10141	1.0
391.11911	1.0
392.125885	10.0
407.111389	1.0
407.149811	17.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011428834
PEPMASS=409.166
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=alpha-mangostin [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=C/C(C)=C\Cc1c(O)c2C(=O)c3c(cc(O)c(OC)c3C\C=C(/C)C)Oc2cc1O
INCHI=InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
INCHIAUX=GNRIZKKCNOBBMO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011428834
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011428834
SCANS=1
339.086212	3.0
351.08609	5.0
377.138641	3.0
379.119019	1.0
394.140961	2.0
409.128662	5.0
409.164856	4.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011428835
PEPMASS=427.176
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=butyraxanthone D [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)CCCC(C)(C)O
INCHI=InChI=1S/C24H28O7/c1-13(6-5-9-24(2,3)29)7-8-15-20-19(12-17(27)23(15)30-4)31-18-11-14(25)10-16(26)21(18)22(20)28/h7,10-12,25-27,29H,5-6,8-9H2,1-4H3
INCHIAUX=VQIHPPHJAYRDMW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011428835
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011428835
SCANS=1
258.017395	184.0
271.024109	835.0
272.032196	258.0
283.024292	785.0
307.059906	145.0
309.074585	135.0
311.053894	105.0
325.070801	3073.0
326.077393	214.0
339.086304	255.0
353.102814	278.0
395.148895	492.0
397.12851	95.0
412.151611	2468.0
427.175201	7312.0
427.199585	207.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011428836
PEPMASS=427.176
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=cratoxylone [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CCC(C)(C)O)O)O)OC)C
INCHI=InChI=1S/C24H28O7/c1-12(2)6-7-14-19-17(11-16(26)23(14)30-5)31-18-10-15(25)13(8-9-24(3,4)29)21(27)20(18)22(19)28/h6,10-11,25-27,29H,7-9H2,1-5H3
INCHIAUX=JSXIWUDODLMCGG-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011428836
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011428836
SCANS=1
311.052673	102.0
339.083588	105.0
340.092865	109.0
353.103821	382.0
354.109192	100.0
357.098053	967.0
369.097351	1645.0
395.150635	542.0
397.128357	255.0
412.152344	1973.0
427.14035	118.0
427.175842	3316.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011428837
PEPMASS=427.176
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=garcinone D [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CCC(C)(C)O)O)C
INCHI=InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3
INCHIAUX=TYALNCRUIKOKGP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011428837
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011428837
SCANS=1
311.094971	93.0
339.08786	527.0
353.102905	1275.0
354.118896	92.0
357.098694	167.0
369.097229	512.0
395.148834	338.0
397.128845	239.0
412.152405	1290.0
412.173157	141.0
427.175903	2940.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011428838
PEPMASS=477.228
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=isocowanin [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(O)C(=C2OC3=CC(O)=C(OC)C(=C13)CC=C(C)CCC=C(C)C)CC=C(C)C
INCHI=InChI=1S/C29H34O6/c1-16(2)8-7-9-18(5)11-13-20-25-24(15-23(32)28(20)34-6)35-29-19(12-10-17(3)4)21(30)14-22(31)26(29)27(25)33/h8,10-11,14-15,30-32H,7,9,12-13H2,1-6H3
INCHIAUX=SOCAUSWRRPKJMP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011428838
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011428838
SCANS=1
326.075806	94.0
339.087097	191.0
340.094513	161.0
351.086304	110.0
353.102386	95.0
375.122498	151.0
377.137909	316.0
393.133392	2436.0
393.1539	221.0
419.148193	125.0
462.207397	131.0
477.228394	936.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011428839
PEPMASS=493.223
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=isocowanol [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C(=C3O2)CC=C(C)CO)O)O)O)OC)C)C
INCHI=InChI=1S/C29H34O7/c1-16(2)7-6-8-17(3)9-12-20-25-24(14-23(33)28(20)35-5)36-29-19(11-10-18(4)15-30)21(31)13-22(32)26(29)27(25)34/h7,9-10,13-14,30-33H,6,8,11-12,15H2,1-5H3
INCHIAUX=OCKLFXKYZPPEFU-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011428839
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011428839
SCANS=1
339.087006	284.0
355.080841	516.0
356.08905	676.0
367.081543	248.0
369.096497	396.0
391.117706	278.0
393.133636	1120.0
408.156891	332.0
409.128235	8646.0
409.14917	259.0
410.133575	279.0
419.149048	1703.0
461.196106	810.0
478.199799	650.0
493.22226	5422.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011428840
PEPMASS=427.176
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=parvixanthone G [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(C)(CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)O)C
INCHI=InChI=1S/C24H28O7/c1-13(2)6-5-8-24(3,29)9-7-15-20-19(12-17(27)23(15)30-4)31-18-11-14(25)10-16(26)21(18)22(20)28/h6,10-12,25-27,29H,5,7-9H2,1-4H3
INCHIAUX=BPANZWARHZNCBM-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011428840
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011428840
SCANS=1
259.023651	454.0
271.023987	1073.0
272.03183	1271.0
285.039886	1340.0
286.044983	247.0
329.064423	216.0
395.15033	362.0
412.151428	1803.0
427.138519	314.0
427.17511	4056.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011428841
PEPMASS=425.161
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=parvixanthone H [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(=C)C(CC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)O)C
INCHI=InChI=1S/C24H26O7/c1-12(2)6-5-7-13(3)16(26)10-15-21-20(11-18(28)24(15)30-4)31-19-9-14(25)8-17(27)22(19)23(21)29/h6,8-9,11,16,25-28H,3,5,7,10H2,1-2,4H3
INCHIAUX=OHYCEMYXJPUHRB-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011428841
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011428841
SCANS=1
337.070526	469.0
351.086487	772.0
393.132721	184.0
395.116211	103.0
410.137024	940.0
425.159882	3535.0
425.182068	276.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011428842
PEPMASS=409.166
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=rubraxanthone [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)C)C
INCHI=InChI=1S/C24H26O6/c1-13(2)6-5-7-14(3)8-9-16-21-20(12-18(27)24(16)29-4)30-19-11-15(25)10-17(26)22(19)23(21)28/h6,8,10-12,25-27H,5,7,9H2,1-4H3
INCHIAUX=JLTSTSRANGPLOQ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011428842
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011428842
SCANS=1
258.014648	97.0
271.02475	76.0
272.031494	100.0
283.024475	179.0
285.039337	78.0
309.076752	85.0
310.04776	86.0
325.070496	510.0
349.070953	100.0
351.085754	135.0
391.11673	84.0
409.128082	1515.0
409.162231	239.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429052
PEPMASS=407.15
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=9-hydroxycalabaxanthone [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=C/C(C)=C\Cc1c2C(=O)c3c(O)c4C=CC(C)(C)Oc4cc3Oc2cc(O)c1OC
INCHI=InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3
INCHIAUX=HQWHKELJHUFLGD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429052
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429052
SCANS=1
167.052307	17.1667
194.184494	18.8333
217.049698	102.666702
218.864197	29.1667
219.065598	97.833298
237.005798	18.5
265.149506	37.833302
290.798187	35.666698
293.045105	99.666702
294.052887	36.333302
296.069305	41.666698
308.071106	29.1667
309.074005	150.333298
313.072693	17.5
319.059906	80.666702
321.0755	50.333302
323.054688	97.666702
324.062988	600.166687
331.061707	210.833298
333.042114	26.6667
334.046906	33.333302
334.644592	18.6667
337.070892	8683.5
338.073486	33.833302
339.08609	106.833298
339.198395	93.333298
346.122101	24.3333
349.069794	24662.833984
349.263092	68.166702
350.076111	46.666698
350.860596	26.3333
351.086914	293.666687
359.091095	111.833298
363.087311	1556.5
365.100891	23.1667
366.104187	29.6667
373.107086	957.5
375.121887	10759.833008
376.136597	27.8333
377.136902	126.666702
389.139496	51.166698
391.117615	649.833313
392.118103	33741.832031
392.330414	122.833298
393.127502	23.5
394.141205	538.833313
406.155212	45.833302
407.082886	111.166702
407.150085	150170.171875
407.254089	455.833313
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429053
PEPMASS=409.165
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=alpha-mangostin [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=C/C(C)=C\Cc1c(O)c2C(=O)c3c(cc(O)c(OC)c3C\C=C(/C)C)Oc2cc1O
INCHI=InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
INCHIAUX=GNRIZKKCNOBBMO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429053
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429053
SCANS=1
146.886307	8.1667
173.973907	8.8333
187.826599	6.5
190.934494	7.3333
196.436295	7.5
225.480499	7.5
245.108994	6.3333
253.817993	8.5
267.022308	8.0
282.014587	14.0
283.028412	37.666698
295.026611	22.3333
297.03891	40.5
298.049103	6.5
298.084991	10.5
307.023987	19.0
311.090912	58.166698
321.076691	49.666698
325.0755	34.666698
325.181702	102.0
325.304901	11.0
326.077911	273.333313
331.058807	7.6667
333.07959	60.166698
334.093506	13.1667
335.089691	18.5
335.210388	6.5
338.081085	10.3333
339.086212	8056.166504
340.202087	8.3333
342.113312	6.5
345.309601	10.1667
350.085388	9.1667
351.086304	28023.666016
354.10611	37.833302
361.109985	66.333298
365.103302	489.333313
375.124115	403.0
376.128906	205.333298
377.138306	7702.5
379.119995	65.166702
379.15271	13.0
393.135498	181.666702
393.196991	9.0
393.458801	7.6667
394.140686	34006.0
394.231293	9.5
396.164612	7.6667
398.164093	7.3333
409.164398	122027.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429054
PEPMASS=427.175
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=butyraxanthone D [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)CCCC(C)(C)O
INCHI=InChI=1S/C24H28O7/c1-13(6-5-9-24(2,3)29)7-8-15-20-19(12-17(27)23(15)30-4)31-18-11-14(25)10-16(26)21(18)22(20)28/h7,10-12,25-27,29H,5-6,8-9H2,1-4H3
INCHIAUX=VQIHPPHJAYRDMW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429054
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429054
SCANS=1
213.385406	13.0
258.018188	81.0
271.025604	1209.5
272.036102	67.5
273.037598	62.5
283.024689	983.0
284.029114	184.5
297.018585	28.0
307.064209	89.5
309.078796	120.0
311.053101	72.5
325.071014	4315.0
328.084198	27.0
331.278412	19.5
337.107086	21.0
338.98111	13.0
339.084686	159.0
339.097992	153.0
343.086609	24.0
345.396301	11.5
349.22171	12.5
353.104004	462.0
353.122711	33.5
354.108398	19.5
376.546204	19.5
381.108093	19.5
381.118988	24.5
382.114197	30.0
383.1185	29.0
383.127502	111.0
383.353699	15.5
387.229797	16.0
393.134186	159.0
395.150513	855.0
395.313293	19.0
396.160492	118.0
397.134399	38.0
411.145996	22.0
412.151886	6505.0
426.109314	19.5
426.165192	79.0
426.256409	55.5
427.175415	133474.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429055
PEPMASS=427.175
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=cratoxylone [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CCC(C)(C)O)O)O)OC)C
INCHI=InChI=1S/C24H28O7/c1-12(2)6-7-14-19-17(11-16(26)23(14)30-5)31-18-10-15(25)13(8-9-24(3,4)29)21(27)20(18)22(19)28/h6,10-11,25-27,29H,7-9H2,1-5H3
INCHIAUX=JSXIWUDODLMCGG-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429055
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429055
SCANS=1
144.924606	5.3333
187.100204	8.1667
269.047913	5.0
272.0354	19.1667
285.044189	27.8333
297.039215	13.8333
299.055298	37.0
311.056885	90.5
311.170593	16.1667
318.0224	5.5
325.076691	6.8333
335.099091	5.0
339.089111	213.666702
340.206909	10.5
341.087799	11.6667
344.091888	17.5
351.095215	6.1667
352.093292	42.833302
353.10141	1799.666748
354.114197	18.5
357.0979	411.0
362.722809	4.8333
364.281891	20.5
367.119995	17.5
368.083588	8.8333
369.097687	1436.5
372.121185	6.0
381.122498	108.5
383.114014	42.666698
383.155487	6.6667
383.250702	9.8333
383.326904	7.3333
383.35141	9.8333
385.048615	10.1667
385.064789	8.3333
393.134888	31.8333
394.139191	48.166698
395.150391	317.0
397.126709	133.833298
399.104401	6.0
403.075012	26.1667
411.142609	59.0
412.151489	8476.5
412.887604	5.3333
414.129211	8.5
415.316895	6.1667
426.163208	123.833298
426.26651	7.3333
426.366211	7.3333
427.175201	40435.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429056
PEPMASS=427.175
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=garcinone D [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CCC(C)(C)O)O)C
INCHI=InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3
INCHIAUX=TYALNCRUIKOKGP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429056
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429056
SCANS=1
144.924606	6.4
197.066605	5.4
232.332901	6.6
272.0354	23.0
284.032593	17.6
285.044189	16.799999
293.1875	6.8
297.038086	16.799999
297.862701	9.8
299.052887	39.799999
311.056702	63.599998
327.0867	8.0
328.096191	8.8
339.087708	261.799988
341.106293	6.6
344.091614	13.0
351.086487	13.8
352.085602	18.0
353.101898	2227.399902
354.110291	35.599998
357.098114	289.0
358.100311	11.8
362.722809	5.8
364.281891	24.6
367.108093	7.0
368.088409	12.8
369.098206	951.599976
376.129608	10.2
379.121307	15.0
381.117493	47.400002
383.094299	11.4
383.11969	45.799999
383.155487	8.0
383.342896	21.4
384.028687	10.0
385.185211	11.2
393.134308	15.2
394.141815	30.4
395.149414	346.399994
397.130402	132.199997
399.104401	7.2
399.726288	5.6
403.08609	8.8
411.150085	60.400002
412.151886	8801.400391
414.129211	10.2
426.16571	124.800003
426.263092	92.800003
427.113312	14.0
427.175415	46021.800781
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429057
PEPMASS=477.228
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=isocowanin [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(O)C(=C2OC3=CC(O)=C(OC)C(=C13)CC=C(C)CCC=C(C)C)CC=C(C)C
INCHI=InChI=1S/C29H34O6/c1-16(2)8-7-9-18(5)11-13-20-25-24(15-23(32)28(20)34-6)35-29-19(12-10-17(3)4)21(30)14-22(31)26(29)27(25)33/h8,10-11,14-15,30-32H,7,9,12-13H2,1-6H3
INCHIAUX=SOCAUSWRRPKJMP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429057
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429057
SCANS=1
190.931305	16.6667
218.812607	26.0
273.043091	24.0
281.94931	16.3333
289.911591	18.6667
291.800812	18.3333
291.814697	16.0
317.034698	17.0
334.783203	34.333302
334.828613	15.3333
339.085205	111.666702
339.195892	35.333302
339.278107	21.3333
340.086395	25.6667
341.089294	20.0
344.761902	29.0
351.086792	29.0
353.133209	29.6667
354.113312	27.6667
357.724213	63.0
358.722687	56.666698
364.806091	48.666698
367.758911	16.6667
377.143494	166.333298
387.201813	52.0
388.201202	28.0
388.743286	29.6667
389.209412	16.6667
389.301605	24.3333
393.132111	817.666687
396.152405	26.6667
396.375214	16.3333
403.723511	17.0
403.740112	22.3333
407.14621	134.0
408.151215	23.3333
419.149414	54.0
419.175903	27.0
421.165192	21.3333
431.190186	17.3333
433.110809	16.3333
433.157104	16.3333
434.172089	31.0
434.191315	25.3333
445.213409	29.3333
462.205597	404.666687
462.273804	23.3333
463.197998	24.0
464.226013	32.0
477.22699	8734.666992
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429058
PEPMASS=493.223
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=isocowanol [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C(=C3O2)CC=C(C)CO)O)O)O)OC)C)C
INCHI=InChI=1S/C29H34O7/c1-16(2)7-6-8-17(3)9-12-20-25-24(14-23(33)28(20)35-5)36-29-19(11-10-18(4)15-30)21(31)13-22(32)26(29)27(25)34/h7,9-10,13-14,30-33H,6,8,11-12,15H2,1-5H3
INCHIAUX=OCKLFXKYZPPEFU-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429058
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429058
SCANS=1
98.477501	21.5
190.928604	33.25
262.855988	35.0
283.018799	20.25
285.040314	35.5
295.041504	20.5
297.039001	39.75
301.039703	24.25
305.217987	28.5
313.036194	71.75
316.76001	44.25
328.720612	37.25
339.084991	253.5
351.086487	21.0
354.110107	55.0
356.09259	102.75
360.749207	143.5
362.737091	29.75
376.70929	27.5
386.745911	24.25
388.693298	27.25
388.735687	46.5
390.722107	25.5
393.132996	148.25
403.625702	30.0
404.712891	75.25
404.741089	65.25
407.148804	267.0
408.115112	27.0
408.156097	1361.5
409.127502	414.75
420.150085	38.25
421.161987	46.75
422.168091	42.25
422.693787	57.5
423.178711	143.75
424.148987	22.5
425.25119	22.5
449.067688	70.25
449.174103	48.0
451.176208	28.0
460.209015	35.5
461.198914	81.25
462.2099	20.75
477.188904	26.75
478.2005	259.25
478.699799	28.75
479.194489	22.25
492.208099	274.0
493.221008	17784.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429059
PEPMASS=427.175
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=parvixanthone G [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(C)(CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)O)C
INCHI=InChI=1S/C24H28O7/c1-13(2)6-5-8-24(3,29)9-7-15-20-19(12-17(27)23(15)30-4)31-18-11-14(25)10-16(26)21(18)22(20)28/h6,10-12,25-27,29H,5,7-9H2,1-4H3
INCHIAUX=BPANZWARHZNCBM-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429059
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429059
SCANS=1
144.924606	6.4
195.100098	5.0
197.066605	5.4
259.024902	10.4
271.023895	24.4
272.034607	145.399994
285.041992	118.800003
311.166412	8.4
329.056091	16.4
353.104492	52.799999
354.105194	16.799999
357.100891	8.8
362.722809	5.8
363.013885	6.0
364.29129	29.4
369.103912	20.0
381.112915	6.2
383.130615	11.0
383.155487	8.0
383.227814	5.0
383.343903	6.4
383.358398	5.6
385.202393	6.8
395.146393	28.799999
399.104401	7.2
411.1521	6.2
412.153595	631.799988
412.190491	12.8
414.129211	10.2
426.164215	15.8
427.175995	4592.200195
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429060
PEPMASS=425.159
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=parvixanthone H [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(=C)C(CC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)O)C
INCHI=InChI=1S/C24H26O7/c1-12(2)6-5-7-13(3)16(26)10-15-21-20(11-18(28)24(15)30-4)31-19-9-14(25)8-17(27)22(19)23(21)29/h6,8-9,11,16,25-28H,3,5,7,10H2,1-2,4H3
INCHIAUX=OHYCEMYXJPUHRB-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429060
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429060
SCANS=1
100.9328	7.8
177.922607	7.2
203.367996	8.8
203.492905	18.0
204.009399	15.4
204.103699	45.799999
204.201004	29.0
204.766296	10.6
204.830002	43.400002
204.912506	56.599998
204.975693	15.2
205.0168	24.0
205.553497	37.400002
205.643005	40.599998
205.756699	16.0
206.303101	9.0
206.358795	15.2
207.6082	11.4
208.363907	18.200001
208.455597	12.0
209.109299	12.2
229.066406	7.0
244.047302	6.4
272.028687	21.200001
283.026611	14.0
285.044403	35.799999
297.04071	61.0
311.087891	8.4
325.07309	24.799999
325.113403	7.8
339.091187	159.600006
339.278015	16.799999
340.093414	722.599976
351.091888	48.599998
353.104614	10.0
354.109314	49.0
355.080688	8.4
355.098602	17.0
358.657898	8.0
361.143188	12.8
367.080505	87.800003
381.109192	47.599998
393.140411	37.599998
393.160797	45.0
397.322906	7.2
409.122192	6.4
410.138885	305.0
424.14859	13.4
425.104889	14.8
425.159393	5325.200195
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429061
PEPMASS=409.165
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=rubraxanthone [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)C)C
INCHI=InChI=1S/C24H26O6/c1-13(2)6-5-7-14(3)8-9-16-21-20(12-18(27)24(16)29-4)30-19-11-15(25)10-17(26)22(19)23(21)28/h6,8,10-12,25-27H,5,7,9H2,1-4H3
INCHIAUX=JLTSTSRANGPLOQ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429061
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429061
SCANS=1
157.011902	28.75
188.482803	13.75
201.317398	11.25
201.434799	15.75
223.033707	12.5
237.012604	10.25
242.021103	30.0
256.054108	29.75
258.025085	185.25
271.025299	719.75
272.034607	1773.5
283.026215	385.75
285.03891	522.75
295.051086	27.75
295.065704	36.0
296.072906	46.0
297.040314	140.5
298.080994	9.5
299.064514	17.25
307.06189	326.0
309.042206	16.0
309.075714	3247.25
311.095795	36.5
312.061493	28.0
316.218597	10.25
323.066406	9.0
323.097687	9.0
324.065796	10.75
325.070709	46982.75
325.184906	144.5
325.305389	12.0
326.0672	26.25
327.088715	12.5
337.110504	19.5
339.087189	55.25
340.093994	132.0
341.097809	15.5
347.192291	10.0
351.086487	201.75
365.106903	41.0
375.123505	34.25
376.132385	60.75
377.151001	500.25
379.112488	153.25
382.565491	12.25
393.129395	54.25
394.143799	6131.5
394.170807	34.25
395.130096	13.75
409.164398	108799.75
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429062
PEPMASS=301.074
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=5-hydroxy-1,2,3-trimethoxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(OC)C(OC)=C(OC)C=C2OC3=C(O)C=CC=C31
INCHI=InChI=1S/C16H14O6/c1-19-11-7-10-12(16(21-3)15(11)20-2)13(18)8-5-4-6-9(17)14(8)22-10/h4-7,17H,1-3H3
INCHIAUX=BQFIZOHBSDOURY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429062
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429062
SCANS=1
79.957901	328.333313
143.049698	88.0
144.022797	178.666702
145.487595	65.333298
145.930099	148.0
155.050201	596.0
167.111206	67.666702
171.044205	153.333298
172.016693	429.333313
175.043396	91.666702
184.016205	1496.333252
187.039001	132.0
195.046997	76.333298
196.051102	185.666702
197.025696	115.666702
198.030396	123.0
199.039398	1732.666748
200.011505	4146.666504
211.044495	261.333313
212.011093	3183.333252
215.034897	473.333313
225.018402	557.333313
226.028503	68.0
227.034805	19406.333984
228.006699	8776.666992
239.034195	425.0
240.042099	4167.666504
241.014801	163.0
242.057602	1826.0
243.029694	32503.333984
253.013596	71.0
255.028702	2143.666748
256.000793	29470.0
256.742615	188.333298
257.044708	3317.666748
258.062805	67.666702
261.121399	112.0
266.264893	189.666702
268.035309	396.333313
269.009186	595.333313
269.952789	561.666687
271.024811	464758.34375
271.19339	39418.332031
271.420502	4804.333496
271.962006	116.666702
284.030701	67.333298
285.039795	7300.0
286.048096	111492.0
286.222107	1707.333252
301.071289	22623.666016
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429063
PEPMASS=273.039
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=1,3,5-trihydroxy-2-methoxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=COC1=C(O)C=C(C2=C1O)OC3=C(O)C=CC=C3C2=O
INCHI=InChI=1S/C14H10O6/c1-19-14-8(16)5-9-10(12(14)18)11(17)6-3-2-4-7(15)13(6)20-9/h2-5,15-16,18H,1H3
INCHIAUX=JAOZFCHZESUBKS-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429063
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429063
SCANS=1
130.039505	59.0
130.207504	18.5
132.021194	21.5
146.039703	26.5
158.032196	32.0
161.021805	45.5
174.030502	106.5
185.016693	27.0
186.037506	47.0
193.716904	24.5
202.024902	32.0
229.013199	123.0
230.019104	170.0
241.020096	40.5
257.006989	214.5
258.015198	38756.5
273.039001	351.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429064
PEPMASS=259.026
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=1,3,5,8-tetrahydroxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=OC1=C2C(OC3=C(O)C=CC(O)=C3C2=O)=CC(O)=C1
INCHI=InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
INCHIAUX=MPXAWSABMVLIBU-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429064
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429064
SCANS=1
83.932899	128.0
93.033997	241.0
95.013802	390.0
99.925499	360.666687
102.946098	309.0
107.013603	218.0
109.029701	600.666687
115.055298	532.0
117.034302	421.0
119.050301	270.0
122.002098	222.0
123.008904	492.0
129.033798	226.0
131.050201	343.0
133.029404	412.0
143.050201	2828.0
145.0289	1080.666748
146.938599	126.333298
147.044998	519.0
149.024399	398.666687
149.995499	7107.0
155.860992	416.0
158.036896	213.333298
159.044601	1854.666748
161.023895	1255.666748
163.039597	1130.0
169.030502	373.666687
171.045303	2886.333252
173.023605	857.666687
173.871307	236.666702
175.038895	340.0
176.010193	406.0
185.024506	491.0
187.039795	10194.0
191.034607	2263.666748
197.024002	492.0
200.011002	234.333298
203.034607	3286.666748
213.018707	1279.0
215.034897	56168.332031
215.185806	347.0
216.007904	157.0
230.020905	393.0
231.029297	2704.666748
241.014999	788.666687
257.007599	120.333298
258.01651	1004.0
259.025391	375645.0
259.108185	6138.333496
259.190002	23397.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429065
PEPMASS=273.044
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=1,5,6-dihydroxy-3-methoxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=OC1=C2C(OC3=C(O)C(O)=CC=C3C2=O)=CC(OC)=C1
INCHI=InChI=1S/C14H10O6/c1-19-6-4-9(16)11-10(5-6)20-14-7(12(11)17)2-3-8(15)13(14)18/h2-5,15-16,18H,1H3
INCHIAUX=JHOYIGDPCIBYKV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429065
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429065
SCANS=1
96.963303	190.0
108.021698	1841.333252
130.041901	232.666702
132.019699	170.333298
140.9505	182.0
145.029907	183.0
146.037292	509.666687
149.9953	373.333313
157.030502	171.0
158.036697	1449.333252
161.024704	309.333313
170.036606	501.333313
172.0159	807.666687
174.031494	3503.0
176.010803	1238.0
184.876801	182.333298
185.024094	282.666687
185.898605	445.333313
186.031799	1014.333313
187.035507	294.0
201.018906	590.0
202.026596	4318.666504
202.996002	224.333298
212.009796	231.0
213.020004	735.666687
214.026306	2327.0
229.013596	2176.333252
229.050903	237.666702
230.021606	9168.333008
241.011703	224.0
244.035202	272.333313
245.046005	432.333313
253.428696	315.333313
253.478806	190.666702
257.008392	2379.333252
257.958008	285.666687
258.019409	1223840.625
258.100098	36643.332031
258.180511	102999.664062
258.220612	34827.0
258.263489	28481.0
258.301605	50495.332031
258.338715	10766.666992
258.403503	18052.666016
258.480408	5735.333496
260.072693	271.666687
261.121307	1216.666748
262.098206	1081.0
273.040802	515510.65625
273.126099	4567.666504
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429066
PEPMASS=287.055
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=1,5-dihydroxy-2,3-dimethoxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=COC1=C(OC)C=C(C2=C1O)OC3=C(O)C=CC=C3C2=O
INCHI=InChI=1S/C15H12O6/c1-19-10-6-9-11(13(18)15(10)20-2)12(17)7-4-3-5-8(16)14(7)21-9/h3-6,16,18H,1-2H3
INCHIAUX=APPOIVIWJAIHBI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429066
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429066
SCANS=1
117.034798	14.0
130.961899	11.25
133.966797	8.75
136.0177	22.25
139.671494	8.0
141.034393	13.5
145.033707	12.5
147.5849	8.75
151.0	19.25
157.029999	105.5
170.039795	27.75
171.0392	19.5
172.050797	14.75
173.024399	29.5
175.741699	14.5
177.998993	8.75
182.033707	12.25
183.000198	15.0
185.024399	400.25
188.045395	146.75
198.0504	294.25
199.042099	24.5
201.017395	143.75
210.032303	143.0
213.018097	5707.5
215.036301	28.5
216.042099	719.75
217.050095	33.5
225.021698	19.25
226.027893	883.5
228.044495	115.0
229.012894	1940.75
241.007294	46.25
242.022202	580.5
243.028	4138.0
244.036499	10.0
254.020905	1503.5
256.031189	36.75
257.00769	72727.75
257.173004	59.0
258.001709	16.5
258.191498	9.0
259.443207	9.5
261.723907	12.75
269.008087	21.0
270.019287	77.75
271.02301	15463.75
272.030792	80252.25
272.199585	187.0
287.054504	3563.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429067
PEPMASS=257.044
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=1,5-dihydroxy-3-methoxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(OC)C=C2OC3=C(O)C=CC=C31
INCHI=InChI=1S/C14H10O5/c1-18-7-5-10(16)12-11(6-7)19-14-8(13(12)17)3-2-4-9(14)15/h2-6,15-16H,1H3
INCHIAUX=IQIGECASJMDDMD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429067
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429067
SCANS=1
123.010002	14.6667
149.998901	37.666698
158.039902	43.0
161.026199	10.0
174.031403	19.3333
186.033295	53.333302
192.993698	9.6667
195.1763	31.0
201.575104	15.3333
201.845398	37.0
202.017395	32.666698
203.832596	42.333302
214.023102	31.3333
229.014603	14.6667
230.022095	336.333313
239.166794	35.333302
242.020401	1788.666748
257.0466	211.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429068
PEPMASS=287.055
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=1,6-dihydroxy-3,5-dimethoxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(OC)C=C2OC3=C(OC)C(O)=CC=C31
INCHI=InChI=1S/C15H12O6/c1-19-7-5-10(17)12-11(6-7)21-14-8(13(12)18)3-4-9(16)15(14)20-2/h3-6,16-17H,1-2H3
INCHIAUX=VKZMZDFCRUHZNI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429068
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429068
SCANS=1
70.336998	6.0
133.032501	10.0
166.995804	19.5
174.964294	8.5
201.018005	19.25
229.013107	362.75
243.034195	13.75
243.074402	9.25
243.196899	17.5
244.030197	8.5
257.007385	15936.75
257.773895	7.0
271.029205	39.5
272.031403	45009.5
272.201691	8.0
287.05661	413.75
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429069
PEPMASS=409.165
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=9-hydroxycalabaxanthone [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=C/C(C)=C\Cc1c2C(=O)c3c(O)c4C=CC(C)(C)Oc4cc3Oc2cc(O)c1OC
INCHI=InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3
INCHIAUX=HQWHKELJHUFLGD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429069
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429069
SCANS=1
238.817307	36.333302
271.588409	41.666698
283.058411	35.666698
285.79129	50.333302
289.785004	68.333298
292.072693	61.333302
295.056793	74.0
296.064911	36.333302
297.10849	118.333298
299.058502	290.666687
309.070709	53.0
310.038513	34.0
310.076599	160.0
311.055695	184.333298
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320.074005	234.666702
323.055115	877.333313
325.105804	433.666687
326.125305	49.333302
326.799805	50.333302
328.957397	35.333302
331.134491	138.0
333.0784	58.333302
335.090912	917.333313
337.06781	50.666698
338.076813	721.0
341.100708	187.666702
342.122406	38.666698
347.091797	192.333298
349.142212	90.0
351.088715	290.666687
353.102386	97417.335938
353.29541	842.333313
353.437897	68.333298
361.106415	532.333313
365.101013	628.0
366.111908	94.0
367.114502	445.333313
376.134186	396.333313
377.13559	175.666702
379.117096	1103.333252
381.135315	55.0
386.016602	35.0
391.152893	1369.0
393.134705	40.333302
394.139587	612.0
395.151886	97.666702
408.157104	57.666698
409.089386	47.333302
409.164703	276612.34375
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429070
PEPMASS=411.182
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=alpha-mangostin [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=C/C(C)=C\Cc1c(O)c2C(=O)c3c(cc(O)c(OC)c3C\C=C(/C)C)Oc2cc1O
INCHI=InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
INCHIAUX=GNRIZKKCNOBBMO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429070
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429070
SCANS=1
243.063904	132.333298
271.059601	2402.0
277.08609	491.333313
282.056885	155.333298
282.803192	105.333298
284.029694	718.666687
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319.096313	468.333313
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325.068787	419.666687
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355.310791	41665.667969
355.361786	7895.333496
355.40509	4281.333496
355.453491	21510.0
355.4953	1738.333252
355.570892	8997.333008
355.660797	142.333298
356.267487	117.666702
367.118896	234.333298
393.16861	137.333298
396.15799	222.0
410.169189	176.666702
411.033112	170.333298
411.180298	221128.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429071
PEPMASS=429.192
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=butyraxanthone D [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)CCCC(C)(C)O
INCHI=InChI=1S/C24H28O7/c1-13(6-5-9-24(2,3)29)7-8-15-20-19(12-17(27)23(15)30-4)31-18-11-14(25)10-16(26)21(18)22(20)28/h7,10-12,25-27,29H,5-6,8-9H2,1-4H3
INCHIAUX=VQIHPPHJAYRDMW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429071
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429071
SCANS=1
69.070396	48.0
95.081398	72.0
111.112396	35.0
123.117104	175.0
259.060913	111.0
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272.033112	87.0
272.070404	84.0
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285.042786	159.0
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301.071106	1471.0
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309.077087	238.0
311.782288	121.0
313.065308	60.0
315.08609	1559.0
320.816589	80.0
323.087494	284.0
323.103912	101.0
327.08429	149.0
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341.101196	519.0
342.097504	92.0
343.117004	1094.0
345.974792	54.0
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350.112488	39.0
350.92511	55.0
354.69101	60.0
355.117615	2614.0
367.028809	38.0
379.138306	84.0
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394.179688	202.0
394.200714	90.0
411.180695	12750.0
412.232788	45.0
429.1875	106.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429072
PEPMASS=429.191
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=cratoxylone [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CCC(C)(C)O)O)O)OC)C
INCHI=InChI=1S/C24H28O7/c1-12(2)6-7-14-19-17(11-16(26)23(14)30-5)31-18-10-15(25)13(8-9-24(3,4)29)21(27)20(18)22(19)28/h6,10-11,25-27,29H,7-9H2,1-5H3
INCHIAUX=JSXIWUDODLMCGG-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429072
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429072
SCANS=1
89.056999	63.0
107.085297	49.0
109.101799	73.0
127.080597	66.0
157.113297	39.0
159.113297	38.0
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217.885605	67.0
219.135895	125.0
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287.048187	50.0
299.053406	111.0
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306.971497	32.0
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311.294495	59.0
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322.172791	73.0
337.108704	464.0
341.092987	33.0
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354.103088	164.0
355.117004	14284.0
410.161713	126.0
411.177887	1089.0
413.309509	64.0
428.172089	52.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429073
PEPMASS=429.192
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=garcinone D [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CCC(C)(C)O)O)C
INCHI=InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3
INCHIAUX=TYALNCRUIKOKGP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429073
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429073
SCANS=1
109.063797	48.0
121.957298	43.0
125.063004	51.0
131.081207	92.0
133.100998	50.0
144.961807	72.0
145.104706	85.0
160.129593	43.0
161.095703	50.0
163.151001	37.0
173.095993	56.0
175.109604	49.0
187.148193	44.0
189.126297	89.0
201.1642	43.0
215.887604	44.0
216.888702	42.0
233.000504	50.0
244.920593	93.0
299.053009	135.0
303.897491	57.0
311.297089	89.0
318.785889	41.0
320.108185	35.0
321.065887	57.0
337.109406	415.0
346.991699	37.0
354.096985	79.0
355.118103	12018.0
357.129486	301.0
410.167114	45.0
411.178497	813.0
412.199585	99.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429074
PEPMASS=479.242
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=isocowanin [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(O)C(=C2OC3=CC(O)=C(OC)C(=C13)CC=C(C)CCC=C(C)C)CC=C(C)C
INCHI=InChI=1S/C29H34O6/c1-16(2)8-7-9-18(5)11-13-20-25-24(15-23(32)28(20)34-6)35-29-19(12-10-17(3)4)21(30)14-22(31)26(29)27(25)33/h8,10-11,14-15,30-32H,7,9,12-13H2,1-6H3
INCHIAUX=SOCAUSWRRPKJMP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429074
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429074
SCANS=1
69.069199	282.0
123.116203	1958.0
271.060699	241.5
285.076111	1111.5
287.053589	616.0
299.055206	40430.5
301.074097	1384.0
313.070007	4545.0
321.081512	344.0
325.106598	404.0
327.085602	3870.0
327.12149	259.5
335.090515	550.0
337.105713	334.0
339.086792	723.0
340.127411	431.0
341.102386	3694.0
341.138397	1358.5
349.107208	452.5
353.100311	1422.5
355.117615	166306.5
355.311005	4421.0
355.453308	848.5
363.130188	464.0
363.158997	719.5
367.116608	4102.0
369.133209	15999.5
377.139008	203.5
378.146088	458.5
381.132385	1005.0
383.148499	11223.5
391.153687	1450.0
395.147308	2438.5
397.036011	1061.0
397.16391	9009.5
398.045685	313.5
400.800507	197.5
405.169189	4185.5
409.163605	4961.0
411.180115	35814.0
419.220795	322.0
421.162506	363.0
423.180511	84039.5
423.392212	658.5
437.194702	699.5
438.059113	307.0
447.216492	643.5
461.231506	9235.5
478.229889	324.5
479.243195	594194.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429075
PEPMASS=495.238
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=isocowanol [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C(=C3O2)CC=C(C)CO)O)O)O)OC)C)C
INCHI=InChI=1S/C29H34O7/c1-16(2)7-6-8-17(3)9-12-20-25-24(14-23(33)28(20)35-5)36-29-19(11-10-18(4)15-30)21(31)13-22(32)26(29)27(25)34/h7,9-10,13-14,30-33H,6,8,11-12,15H2,1-5H3
INCHIAUX=OCKLFXKYZPPEFU-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429075
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429075
SCANS=1
123.114502	306.5
201.048599	53.5
287.05069	113.0
301.068787	66.5
315.093597	53.5
323.056213	232.5
325.106598	155.0
327.091003	83.5
335.085297	65.0
338.070404	195.5
338.110596	109.0
339.082886	215.5
339.121887	303.0
341.099701	149.0
349.107391	51.5
351.093292	108.0
353.101715	21985.5
355.111115	98.5
361.105011	62.5
361.140198	148.5
363.800995	60.5
365.144897	71.5
367.116699	2492.5
369.126312	108.5
369.67099	50.0
371.110413	2105.0
375.122711	195.0
379.114685	180.5
381.132812	1614.0
385.131714	261.5
389.138306	278.0
393.131714	409.0
395.147888	1604.5
399.142914	212.5
403.152893	94.5
407.148285	780.5
409.163696	5304.5
421.162811	5687.5
423.184998	163.0
427.173096	1624.5
435.1763	136.5
439.179901	2755.5
445.199707	150.5
449.193604	75.0
450.170502	60.5
459.215515	1458.5
460.226593	367.5
477.227386	32195.5
477.453888	51.5
495.237701	18101.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429077
PEPMASS=303.09
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=5-hydroxy-1,2,3-trimethoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(OC)C(OC)=C(OC)C=C2OC3=C(O)C=CC=C31
INCHI=InChI=1S/C16H14O6/c1-19-11-7-10-12(16(21-3)15(11)20-2)13(18)8-5-4-6-9(17)14(8)22-10/h4-7,17H,1-3H3
INCHIAUX=BQFIZOHBSDOURY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429077
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429077
SCANS=1
136.014603	1307.5
171.045197	1175.0
174.030106	856.75
185.058502	605.125
189.054199	622.375
199.038605	1043.0
202.024399	2838.375
212.046204	826.25
213.054703	9023.5
214.060303	2910.625
215.067596	627.875
217.046204	595.125
224.0466	1118.25
225.053604	1001.875
227.033295	2220.875
228.041504	1532.75
229.048401	1108.375
240.041107	748.5
241.049393	11374.25
242.057999	59585.75
242.216995	2230.5
242.333801	839.5
244.036896	1503.25
245.044601	45796.625
245.205902	1027.5
253.048492	580.375
255.027802	580.625
257.042908	1296.375
259.060791	83603.25
259.225311	2868.375
259.346191	1207.75
269.045105	17517.0
270.05249	38691.75
270.221008	1522.375
271.023987	2315.125
271.058502	16016.0
273.040802	184758.75
273.125305	2125.5
273.209015	8092.0
273.253113	1816.375
273.291992	827.0
273.333496	3825.25
273.436798	1863.125
285.038788	2287.875
287.055695	29708.25
288.063599	120145.875
288.151398	682.25
288.237	4615.75
288.364197	2589.0
303.0867	96952.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429078
PEPMASS=275.056
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=1,3,5-trihydroxy-2-methoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=COC1=C(O)C=C(C2=C1O)OC3=C(O)C=CC=C3C2=O
INCHI=InChI=1S/C14H10O6/c1-19-14-8(16)5-9-10(12(14)18)11(17)6-3-2-4-7(15)13(6)20-9/h2-5,15-16,18H,1H3
INCHIAUX=JAOZFCHZESUBKS-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429078
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429078
SCANS=1
103.126198	54.0
129.879196	140.0
145.872894	40.0
151.920197	84.0
172.860397	56.0
173.852905	182.0
188.905304	123.0
191.979401	43.0
195.9142	64.0
196.8638	49.0
201.046204	366.0
217.858093	86.0
219.168793	324.0
219.192398	156.0
228.041504	114.0
231.026703	60.0
232.037903	62.0
233.190598	60.0
235.182205	72.0
260.030914	2319.0
274.275909	107.0
275.052612	389.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429079
PEPMASS=275.055
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=1,5,6-dihydroxy-3-methoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=OC1=C2C(OC3=C(O)C(O)=CC=C3C2=O)=CC(OC)=C1
INCHI=InChI=1S/C14H10O6/c1-19-6-4-9(16)11-10(5-6)20-14-7(12(11)17)2-3-8(15)13(14)18/h2-5,15-16,18H,1H3
INCHIAUX=JHOYIGDPCIBYKV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429079
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429079
SCANS=1
99.043404	163.0
103.052902	153.25
107.011597	792.25
115.053596	228.0
121.027702	2183.25
131.048096	441.0
135.007294	206.75
137.022003	163.75
145.063004	211.0
149.021805	164.5
152.009201	260.25
153.017807	402.5
155.055206	201.75
160.050903	311.75
163.074402	322.25
167.033798	1759.75
171.042496	520.75
173.058304	341.0
175.074493	400.75
176.046097	279.0
177.017593	828.25
177.054504	567.0
178.0233	196.25
186.031204	227.75
187.033005	1755.5
191.069595	1685.5
199.038498	323.0
201.046295	7440.0
204.041306	1145.0
205.048904	1629.5
214.024796	644.25
215.033707	9641.0
219.028702	210.5
219.066605	8794.5
219.173401	244.0
227.033997	410.0
228.042297	666.25
229.046997	17667.5
231.029099	711.75
232.037003	33325.25
232.193405	230.75
242.020599	207.25
243.0298	5699.25
246.0495	271.75
247.055603	6470.5
256.030701	184.5
257.042389	13350.25
260.031403	40452.25
260.197388	234.0
275.05481	551172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429080
PEPMASS=289.075
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=1,5-dihydroxy-2,3-dimethoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=COC1=C(OC)C=C(C2=C1O)OC3=C(O)C=CC=C3C2=O
INCHI=InChI=1S/C15H12O6/c1-19-10-6-9-11(13(18)15(10)20-2)12(17)7-4-3-5-8(16)14(7)21-9/h3-6,16,18H,1-2H3
INCHIAUX=APPOIVIWJAIHBI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429080
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429080
SCANS=1
92.024803	657.666687
115.053902	366.166687
136.016205	291.833313
144.057098	591.333313
155.053604	145.333298
171.0439	4693.666504
199.039093	718.833313
200.046707	8262.333008
202.027298	179.333298
214.026001	193.5
215.034393	414.333313
215.068695	169.833298
226.024994	819.333313
228.042694	198720.5
228.121307	866.0
228.197006	8533.333008
228.237198	289.0
228.310699	4260.0
228.405502	298.666687
231.028595	910.0
241.048492	157.833298
242.020599	441.666687
242.054504	188.5
243.064301	1681.833252
244.036407	2868.333252
245.044601	7727.5
255.029297	794.333313
256.037994	461684.34375
256.120911	6647.666504
256.200897	24129.0
256.243713	4841.333496
256.281799	3722.166748
256.321808	12019.666992
256.356506	744.166687
256.421997	4544.333496
257.164307	128.5
259.024811	2630.333252
260.063385	207.333298
271.021301	128.5
271.059906	1652.166748
273.039703	7729.166504
274.048401	376504.5
274.133392	3518.166748
274.217285	15666.5
274.262085	2175.166748
274.298401	630.333313
274.34201	7783.5
274.445801	2611.666748
287.051605	127.5
289.071808	296613.34375
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429081
PEPMASS=259.061
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=1,5-dihydroxy-3-methoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(OC)C=C2OC3=C(O)C=CC=C31
INCHI=InChI=1S/C14H10O5/c1-18-7-5-10(16)12-11(6-7)19-14-8(13(12)17)3-2-4-9(14)15/h2-6,15-16H,1H3
INCHIAUX=IQIGECASJMDDMD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429081
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429081
SCANS=1
99.044899	211.0
105.032501	469.0
107.012703	464.0
115.0541	1015.0
117.070702	320.0
121.026001	259.0
121.0364	207.0
125.023003	194.0
127.053299	264.0
128.059494	392.0
129.0681	528.0
131.047302	324.0
136.014404	322.0
137.023499	730.0
143.048798	231.0
144.056702	745.0
147.043503	318.0
147.080307	841.0
155.049103	830.0
157.063004	699.0
160.051102	807.0
161.022598	3421.0
161.058304	2116.0
166.025101	1087.0
170.035904	192.0
171.042892	7479.0
171.854797	278.0
173.059097	219.0
175.074295	3356.0
183.042801	749.0
185.058807	1290.0
185.070694	791.0
187.038696	518.0
188.0466	4825.0
198.030899	894.0
199.038605	10501.0
201.050003	354.0
203.0336	578.0
203.069702	10582.0
211.040802	612.0
213.053894	1989.0
215.033401	1443.0
216.041901	59828.0
226.025208	295.0
227.033493	17438.0
228.037201	4212.0
231.065201	35113.0
241.048904	1987.0
244.036896	41248.0
259.060913	911354.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429082
PEPMASS=289.072
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=1,6-dihydroxy-3,5-dimethoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(OC)C=C2OC3=C(OC)C(O)=CC=C31
INCHI=InChI=1S/C15H12O6/c1-19-7-5-10(17)12-11(6-7)21-14-8(13(12)18)3-4-9(16)15(14)20-2/h3-6,16-17H,1-2H3
INCHIAUX=VKZMZDFCRUHZNI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429082
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429082
SCANS=1
121.027199	49.5
130.045197	50.5
151.000198	77.5
167.034195	92.5
167.860901	155.0
167.891998	46.5
171.039398	79.0
176.048096	56.0
185.059204	138.5
189.053604	57.5
190.061295	114.0
200.048096	72.0
201.052795	179.0
203.036499	79.5
213.055206	306.0
214.059906	163.0
215.032501	77.5
215.069305	359.0
216.041901	147.5
217.002701	43.5
217.048706	1836.5
219.883896	67.0
227.0327	53.5
228.040405	113.5
229.048996	1902.5
231.028503	318.0
233.079697	68.0
242.021606	88.0
242.058105	80.0
243.0625	220.5
244.036194	792.0
245.044403	6952.0
246.050507	248.5
251.049103	58.5
256.035889	82.5
257.042206	99.5
258.050598	414.0
259.018799	115.5
261.074585	262.0
269.045288	64.0
270.052612	64.5
271.059814	929.5
273.039001	469.0
274.048004	246882.0
274.134186	554.0
274.217499	9201.0
274.261505	115.5
274.34201	3639.0
274.446594	255.5
289.071503	61437.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429083
PEPMASS=303.087
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=1-hydroxy-3,5,6-trimethoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(OC)C=C2OC3=C(OC)C(OC)=CC=C31
INCHI=InChI=1S/C16H14O6/c1-19-8-6-10(17)13-12(7-8)22-15-9(14(13)18)4-5-11(20-2)16(15)21-3/h4-7,17H,1-3H3
INCHIAUX=MNLGBRDSLUAKRO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429083
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429083
SCANS=1
120.017303	224.125
140.043793	75.625
149.024094	164.875
166.025208	193.25
184.048706	129.25
199.046204	155.625
203.029297	91.375
203.072495	73.0
212.0457	83.0
213.051697	541.5
215.072098	83.5
216.041901	266.25
227.030304	546.25
227.042007	82.875
229.050705	79.875
230.057098	772.75
231.067993	208.5
241.048904	364.125
242.0569	40541.875
242.2173	299.625
244.029602	152.875
245.043396	214.75
245.079102	121.875
257.04129	133.625
258.050903	3808.75
259.059814	129012.5
259.144409	98.875
259.225311	3253.875
259.34671	1026.875
259.4487	62.0
269.043701	158.625
270.052094	4549.125
271.060211	8322.0
273.039703	3743.75
273.077301	489.75
275.089386	298.125
285.031799	300.0
287.055115	85918.375
287.231995	1828.25
287.356598	305.5
288.062714	244823.375
288.150787	651.375
288.23819	8035.625
288.283295	984.0
288.320312	363.25
288.365601	3172.625
288.403198	65.875
288.471008	853.5
288.870605	63.0
303.086792	401189.75
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429085
PEPMASS=407.154
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=9-hydroxycalabaxanthone [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=C/C(C)=C\Cc1c2C(=O)c3c(O)c4C=CC(C)(C)Oc4cc3Oc2cc(O)c1OC
INCHI=InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3
INCHIAUX=HQWHKELJHUFLGD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429085
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429085
SCANS=1
265.148285	30.5
274.783691	18.5
337.070312	239.5
339.198486	183.0
339.217804	55.0
341.220215	27.5
345.321014	25.0
349.069214	509.5
352.088715	29.5
365.099487	93.0
375.125305	289.0
377.110596	26.5
377.141113	35.0
391.10611	18.0
391.15451	40.5
392.124908	780.0
407.148407	2581.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429086
PEPMASS=409.165
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=alpha-mangostin [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=C/C(C)=C\Cc1c(O)c2C(=O)c3c(cc(O)c(OC)c3C\C=C(/C)C)Oc2cc1O
INCHI=InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
INCHIAUX=GNRIZKKCNOBBMO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429086
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429086
SCANS=1
146.973206	12.0
163.928101	12.0
173.973907	10.6
190.934494	8.8
219.070908	9.8
227.338303	13.8
267.029388	12.0
268.044403	12.0
282.020386	9.6
283.0271	20.6
295.034302	50.599998
297.039307	32.599998
297.157501	9.4
298.054993	8.8
298.084412	21.799999
307.026306	12.0
308.040314	10.0
310.083405	15.0
311.090607	51.0
319.017395	11.2
319.058014	8.0
321.076508	75.0
325.071411	39.599998
325.189514	128.0
325.26889	15.4
325.304901	13.2
326.078796	308.600006
326.181213	16.0
327.088898	45.0
333.077606	77.199997
335.099701	9.4
338.083496	9.8
339.086212	8312.799805
341.019714	8.6
350.0914	11.0
351.086487	29483.0
361.111908	76.599998
365.103088	540.400024
375.12381	306.200012
375.138397	11.6
376.131409	247.800003
377.138092	7534.0
379.15271	15.6
380.117798	45.0
393.136108	182.800003
394.141205	35346.800781
396.164612	9.2
398.932709	8.6
408.153992	12.8
409.164703	125903.398438
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429087
PEPMASS=427.174
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=butyraxanthone D [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)CCCC(C)(C)O
INCHI=InChI=1S/C24H28O7/c1-13(6-5-9-24(2,3)29)7-8-15-20-19(12-17(27)23(15)30-4)31-18-11-14(25)10-16(26)21(18)22(20)28/h7,10-12,25-27,29H,5-6,8-9H2,1-4H3
INCHIAUX=VQIHPPHJAYRDMW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429087
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429087
SCANS=1
179.5961	14.0
206.906006	15.0
212.554306	18.5
258.019104	90.5
271.024109	2060.0
271.040497	16.5
276.203491	13.5
277.533997	17.0
283.023987	1060.0
284.03241	184.0
285.044403	14.5
294.058411	13.5
297.047211	40.5
297.080688	21.0
307.062592	68.5
309.072296	167.5
311.053711	44.0
321.098114	16.0
325.013794	22.0
325.070587	5055.5
329.497589	14.5
337.102386	23.0
339.0867	187.0
340.099915	45.5
344.100708	15.0
347.573792	13.5
353.101105	491.5
354.104614	58.5
354.114807	63.5
367.3974	15.0
369.110413	13.5
381.115112	36.0
382.118195	61.5
383.118896	172.0
393.137299	108.0
394.143311	99.0
395.149597	1009.0
397.124512	27.0
411.141205	26.0
412.151215	6839.5
413.159302	929.0
426.163086	59.0
427.174988	132288.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429088
PEPMASS=427.175
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=cratoxylone [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CCC(C)(C)O)O)O)OC)C
INCHI=InChI=1S/C24H28O7/c1-12(2)6-7-14-19-17(11-16(26)23(14)30-5)31-18-10-15(25)13(8-9-24(3,4)29)21(27)20(18)22(19)28/h6,10-11,25-27,29H,7-9H2,1-5H3
INCHIAUX=JSXIWUDODLMCGG-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429088
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429088
SCANS=1
144.927505	15.2
197.066605	5.4
272.0354	23.0
285.044189	16.799999
299.054199	10.0
311.058289	15.6
311.173889	10.0
340.098114	17.0
341.101288	5.4
353.10321	246.800003
354.105194	16.799999
357.098297	69.400002
362.722809	5.8
364.281891	24.6
369.095215	109.800003
381.112213	90.0
383.155487	8.0
383.343903	6.4
394.143097	4.6
395.152496	36.799999
397.131897	9.8
399.104401	7.2
403.082092	7.8
411.140106	32.599998
412.1521	792.0
413.160187	76.800003
414.129211	10.2
418.381012	7.8
426.161713	46.400002
427.174286	3972.600098
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429089
PEPMASS=427.175
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=garcinone D [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CCC(C)(C)O)O)C
INCHI=InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3
INCHIAUX=TYALNCRUIKOKGP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429089
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429089
SCANS=1
260.196991	19.5
285.041809	41.5
285.211487	15.5
297.039612	31.5
299.05249	91.0
311.058014	281.0
312.048004	47.5
313.127594	22.0
325.074005	54.5
328.093109	37.0
337.106689	15.0
339.086792	825.0
339.136292	34.5
342.108612	19.0
343.085602	18.5
344.094208	22.0
351.089996	33.0
352.088287	70.5
353.10199	9192.5
355.130188	23.0
357.096985	1082.5
367.107086	17.0
368.095612	16.0
368.117493	24.5
369.096985	3568.5
379.120392	20.5
380.129913	59.0
380.673615	26.5
382.10321	20.5
383.112488	183.0
383.354492	79.5
383.396912	25.0
384.153198	17.5
387.59201	18.5
393.13089	77.0
394.142487	80.5
395.149109	1138.5
397.129395	361.5
398.13739	47.0
403.082306	16.5
407.918396	16.5
408.2948	21.5
409.164001	22.5
409.180603	23.0
411.140411	166.0
412.151215	36407.5
413.698914	20.0
415.170807	54.0
426.166199	251.5
427.174988	187467.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429090
PEPMASS=477.227
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=isocowanin [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(O)C(=C2OC3=CC(O)=C(OC)C(=C13)CC=C(C)CCC=C(C)C)CC=C(C)C
INCHI=InChI=1S/C29H34O6/c1-16(2)8-7-9-18(5)11-13-20-25-24(15-23(32)28(20)34-6)35-29-19(12-10-17(3)4)21(30)14-22(31)26(29)27(25)33/h8,10-11,14-15,30-32H,7,9,12-13H2,1-6H3
INCHIAUX=SOCAUSWRRPKJMP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429090
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429090
SCANS=1
191.007507	23.0
224.647995	47.0
250.8228	21.0
275.606812	20.5
310.784302	44.5
326.080414	60.0
337.144196	20.0
339.085114	387.0
339.200409	33.0
340.089111	57.5
345.747589	22.0
349.067413	20.0
351.088013	27.5
353.10141	72.5
354.109192	59.0
360.630188	33.0
364.134613	18.5
376.976898	17.0
377.138214	316.0
379.169098	35.5
387.198303	132.0
388.737701	17.0
389.22229	51.5
391.1185	29.0
393.131989	2124.0
400.999695	23.5
404.785614	20.0
405.209015	21.5
407.1091	35.0
407.152313	95.0
410.881989	17.5
417.298309	30.0
419.146515	156.0
421.137085	21.0
422.161499	27.0
431.196106	52.0
433.164703	182.5
434.166504	21.0
436.155701	22.5
445.207794	103.0
462.205811	713.5
476.088715	19.5
477.009399	21.5
477.226501	18984.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429091
PEPMASS=493.222
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=isocowanol [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C(=C3O2)CC=C(C)CO)O)O)O)OC)C)C
INCHI=InChI=1S/C29H34O7/c1-16(2)7-6-8-17(3)9-12-20-25-24(14-23(33)28(20)35-5)36-29-19(11-10-18(4)15-30)21(31)13-22(32)26(29)27(25)34/h7,9-10,13-14,30-33H,6,8,11-12,15H2,1-5H3
INCHIAUX=OCKLFXKYZPPEFU-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429091
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429091
SCANS=1
144.922394	65.0
326.078094	189.0
339.184601	60.0
340.09671	119.0
346.777893	41.0
350.714203	44.0
351.084595	51.0
352.089386	54.0
353.100403	65.0
356.080505	56.0
358.735504	34.0
359.834503	40.0
360.735291	143.0
365.109406	56.0
371.647308	56.0
389.741791	55.0
393.133301	160.0
404.663513	39.0
405.659393	43.0
405.740997	54.0
406.620209	38.0
406.748993	227.0
408.16391	63.0
409.1297	277.0
415.662994	45.0
419.145691	98.0
423.143097	172.0
429.958588	37.0
432.321289	54.0
433.166107	36.0
435.143311	119.0
449.058411	35.0
452.735901	41.0
459.188507	36.0
461.199799	255.0
478.194611	1108.0
492.217712	90.0
493.221588	13935.0
493.317688	38.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429092
PEPMASS=427.175
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=parvixanthone G [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(C)(CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)O)C
INCHI=InChI=1S/C24H28O7/c1-13(2)6-5-8-24(3,29)9-7-15-20-19(12-17(27)23(15)30-4)31-18-11-14(25)10-16(26)21(18)22(20)28/h6,10-12,25-27,29H,5,7-9H2,1-4H3
INCHIAUX=BPANZWARHZNCBM-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429092
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429092
SCANS=1
207.838303	19.5
227.643997	32.5
239.331894	17.0
266.151215	12.5
271.020294	17.0
272.01651	43.0
285.034088	85.5
297.041412	27.0
299.058014	146.5
311.058899	325.0
315.432587	34.0
325.075195	37.0
339.089905	104.0
340.093506	362.0
344.088989	42.5
351.088196	11.5
352.094086	63.0
353.101501	6808.5
357.098907	1484.5
367.114807	23.0
368.093292	33.0
369.096985	4852.5
371.109802	114.0
371.880188	22.5
379.120209	20.0
380.126495	21.0
381.133606	40.0
383.112915	80.0
383.354492	63.0
393.135315	253.5
394.146088	80.5
395.1492	1151.5
397.128693	328.5
403.079498	16.5
406.5961	16.5
411.108795	22.0
411.139587	220.0
412.06839	23.0
412.151489	32485.0
415.160797	47.0
423.944702	13.5
426.162201	257.5
426.261993	33.0
426.278992	24.0
427.174988	141807.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429093
PEPMASS=425.159
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=parvixanthone H [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(=C)C(CC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)O)C
INCHI=InChI=1S/C24H26O7/c1-12(2)6-5-7-13(3)16(26)10-15-21-20(11-18(28)24(15)30-4)31-19-9-14(25)8-17(27)22(19)23(21)29/h6,8-9,11,16,25-28H,3,5,7,10H2,1-2,4H3
INCHIAUX=OHYCEMYXJPUHRB-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429093
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429093
SCANS=1
271.0242	160.277802
272.031494	31.2778
273.004395	40.222198
283.024292	71.722198
285.045105	201.944397
288.025299	23.111099
297.039612	380.333313
309.038513	98.5
309.074493	130.333298
323.054596	108.166702
323.091003	52.777802
325.071198	50.833302
325.107391	22.444401
325.172699	23.3333
335.086792	23.5
337.071014	2713.833252
339.049103	57.5
339.086914	1587.277832
340.093811	5817.666504
341.099396	23.888901
349.070892	31.111099
351.0867	14631.777344
351.278992	204.888901
351.420807	21.5
353.095795	73.111099
354.112915	247.111099
355.082794	329.833313
355.104095	25.111099
355.119507	58.055599
361.146698	31.2778
367.07959	1207.666748
381.105194	70.666702
381.127289	43.722198
382.105194	73.333298
382.137207	37.666698
391.127197	34.277802
392.124603	155.277802
393.133087	2020.833252
395.112305	560.888916
407.149414	108.888901
409.125214	62.055599
410.136292	31582.554688
410.241211	124.5
410.344086	984.0
410.396912	21.6667
410.497498	401.777802
417.629211	22.111099
424.149292	102.333298
425.079315	28.7778
425.162689	182097.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429094
PEPMASS=409.165
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=rubraxanthone [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)C)C
INCHI=InChI=1S/C24H26O6/c1-13(2)6-5-7-14(3)8-9-16-21-20(12-18(27)24(16)29-4)30-19-11-15(25)10-17(26)22(19)23(21)28/h6,8,10-12,25-27H,5,7,9H2,1-4H3
INCHIAUX=JLTSTSRANGPLOQ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429094
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429094
SCANS=1
201.322998	7.4
207.389603	8.0
222.529404	7.0
225.425201	6.0
229.147797	10.8
242.020493	12.4
243.027603	8.0
256.040497	13.2
257.043793	7.4
258.015289	145.0
271.025208	550.799988
271.908508	14.8
272.032013	1240.0
274.029114	10.6
283.024597	299.0
285.041687	406.799988
295.060699	22.799999
296.066589	52.0
296.690094	6.4
297.041199	72.599998
300.372498	10.4
307.062805	231.199997
309.075897	2396.199951
311.1008	6.2
321.387909	9.2
323.05069	12.8
324.073303	6.6
325.070496	33814.800781
325.168915	18.4
325.188202	83.599998
327.088715	10.0
337.111389	21.0
339.075714	58.200001
339.101013	24.799999
339.150208	5.6
340.093811	94.400002
351.095398	165.800003
352.123901	8.8
355.71579	5.6
365.112	23.6
375.126007	16.6
376.130493	26.200001
377.138489	442.799988
378.153107	25.799999
379.113312	36.599998
380.134491	9.0
393.1362	40.200001
394.140411	4230.600098
397.158295	9.0
409.164307	78539.203125
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429095
PEPMASS=301.072
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=5-hydroxy-1,2,3-trimethoxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(OC)C(OC)=C(OC)C=C2OC3=C(O)C=CC=C31
INCHI=InChI=1S/C16H14O6/c1-19-11-7-10-12(16(21-3)15(11)20-2)13(18)8-5-4-6-9(17)14(8)22-10/h4-7,17H,1-3H3
INCHIAUX=BQFIZOHBSDOURY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429095
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429095
SCANS=1
79.956802	198.5
144.022507	128.5
145.930603	256.5
155.049103	200.5
156.020493	209.5
171.045105	215.5
172.016403	464.0
175.042099	114.5
184.015793	1191.0
184.052704	190.0
187.0383	105.0
196.054596	164.0
197.024704	213.5
199.039993	2144.0
200.011307	4123.5
211.040695	118.0
212.011505	3115.5
212.047394	305.5
215.0345	571.0
225.020599	246.0
226.026199	213.5
227.035202	20466.5
228.006302	9816.5
239.000595	180.0
239.0327	139.5
240.042603	3373.5
241.011795	109.5
242.021301	871.0
242.057007	1191.0
243.030106	30547.5
255.0289	1828.0
256.001495	33482.5
257.0448	2763.0
266.188507	99.5
269.00769	798.0
269.043213	245.5
271.024994	534406.5
271.109985	7461.0
271.160095	3661.5
271.193909	18499.0
271.235413	4169.0
271.277008	1984.0
271.319092	11754.5
271.353912	309.5
271.42099	3115.0
285.039886	6950.5
286.048401	107821.5
286.222107	1341.0
286.350189	185.5
301.071411	21582.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429096
PEPMASS=273.041
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=1,3,5-trihydroxy-2-methoxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=COC1=C(O)C=C(C2=C1O)OC3=C(O)C=CC=C3C2=O
INCHI=InChI=1S/C14H10O6/c1-19-14-8(16)5-9-10(12(14)18)11(17)6-3-2-4-7(15)13(6)20-9/h2-5,15-16,18H,1H3
INCHIAUX=JAOZFCHZESUBKS-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429096
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429096
SCANS=1
84.935799	35.0
96.962097	88.5
101.941902	179.0
102.947403	52.5
128.927094	64.0
129.942596	63.5
140.874207	122.5
140.952393	260.5
142.887299	40.5
145.028595	29.5
145.927704	33.0
146.940308	131.5
156.025101	22.0
156.866394	23.5
167.878693	58.5
173.036499	49.0
174.031906	42.5
179.266296	22.5
181.916	25.5
183.9189	91.5
184.877502	234.5
185.883606	395.0
188.011703	25.5
188.9729	30.5
202.031296	44.0
229.012497	27.5
230.022095	121.0
241.011505	52.0
245.0168	93.0
246.923798	21.0
257.007996	42.0
258.017303	5300.0
273.036407	151.5
273.246094	33.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429097
PEPMASS=259.025
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=1,3,5,8-tetrahydroxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=OC1=C2C(OC3=C(O)C=CC(O)=C3C2=O)=CC(O)=C1
INCHI=InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
INCHIAUX=MPXAWSABMVLIBU-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429097
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429097
SCANS=1
83.9347	242.0
93.033997	42.0
99.926399	296.0
102.9496	261.0
109.029297	65.0
112.986504	37.0
115.055298	82.5
117.0327	65.0
122.006401	40.5
123.011902	42.0
131.049301	116.5
133.029907	121.5
143.0495	248.5
145.030502	91.0
146.940598	132.5
147.048401	55.5
149.0242	50.0
149.995697	656.5
155.862701	447.0
158.037903	39.5
159.045395	216.5
161.025894	189.0
163.040497	177.0
167.859497	120.0
168.861603	246.0
169.028595	74.5
171.0448	391.5
171.878601	64.5
173.021896	283.5
173.871399	247.0
179.397797	42.5
180.923203	37.0
185.020294	43.0
186.033997	37.0
187.039993	1105.0
188.053497	113.5
191.036606	307.5
197.024994	38.0
198.036194	52.0
203.036697	424.0
213.023804	47.5
214.031799	109.0
215.035294	5271.0
230.020294	49.5
231.029404	284.5
241.018005	98.0
242.026001	42.0
258.016602	196.5
259.025513	37621.0
259.194305	40.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429098
PEPMASS=273.044
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=1,5,6-dihydroxy-3-methoxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=OC1=C2C(OC3=C(O)C(O)=CC=C3C2=O)=CC(OC)=C1
INCHI=InChI=1S/C14H10O6/c1-19-6-4-9(16)11-10(5-6)20-14-7(12(11)17)2-3-8(15)13(14)18/h2-5,15-16,18H,1H3
INCHIAUX=JHOYIGDPCIBYKV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429098
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429098
SCANS=1
96.962601	191.833298
102.949799	101.833298
108.0224	808.666687
130.043503	111.666702
140.952393	257.166687
142.893097	179.833298
146.040298	237.166702
146.936401	125.833298
149.996201	208.0
158.039398	593.5
161.025604	441.5
170.045197	174.666702
172.016403	264.166687
174.031296	1490.166748
176.040604	547.166687
184.878906	172.5
185.030396	212.333298
185.884796	428.333313
186.026199	517.5
201.020706	465.666687
202.026001	2175.666748
212.012695	107.333298
213.020996	347.333313
214.0271	1027.833252
217.051193	91.5
227.045197	91.166702
229.013306	897.833313
229.052002	115.5
230.020706	3963.0
245.010803	160.0
245.050705	212.166702
253.473694	126.0
257.011414	1105.0
257.962311	110.333298
258.017395	589160.1875
258.101501	15493.166992
258.150787	10513.166992
258.18219	31504.666016
258.221985	14221.166992
258.265808	19434.166016
258.303497	16971.0
258.339905	4905.333496
258.404388	8615.833008
258.481689	1560.833252
260.075989	117.666702
261.353485	147.166702
262.048309	156.0
262.097412	436.0
273.040314	248090.5
273.126892	2061.333252
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429099
PEPMASS=287.06
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=1,5-dihydroxy-2,3-dimethoxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=COC1=C(OC)C=C(C2=C1O)OC3=C(O)C=CC=C3C2=O
INCHI=InChI=1S/C15H12O6/c1-19-10-6-9-11(13(18)15(10)20-2)12(17)7-4-3-5-8(16)14(7)21-9/h3-6,16,18H,1-2H3
INCHIAUX=APPOIVIWJAIHBI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429099
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429099
SCANS=1
100.932602	405.0
123.008598	279.799988
129.035904	223.800003
141.035599	215.600006
151.004196	371.399994
157.034302	1377.199951
170.037292	627.799988
173.0242	336.200012
182.037292	430.0
185.029205	4100.0
188.048004	1887.599976
198.034302	2983.0
201.019394	1469.400024
210.033096	1361.800049
213.019104	46159.0
213.170502	473.0
216.043304	7434.600098
226.027603	8691.0
229.014694	19492.599609
229.048203	215.800003
241.016907	539.200012
242.022705	5457.399902
243.030807	56128.0
243.191193	290.600006
254.016602	15034.0
257.009613	348845.59375
257.092987	5495.200195
257.142792	3648.399902
257.177094	14550.0
257.215515	4027.0
257.257202	2637.199951
257.29599	6384.200195
257.331512	866.200012
257.395813	3296.399902
258.212585	295.0
270.016602	451.0
271.025513	118626.796875
271.111389	352.0
271.194397	3256.800049
271.319702	1282.0
272.034698	421963.59375
272.117798	7907.0
272.170105	5634.399902
272.202606	19078.800781
272.243988	6381.200195
272.287506	4467.799805
272.327515	10162.400391
272.363586	1512.800049
272.430298	4359.799805
287.056305	36033.398438
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429100
PEPMASS=257.047
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=1,5-dihydroxy-3-methoxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(OC)C=C2OC3=C(O)C=CC=C31
INCHI=InChI=1S/C14H10O5/c1-18-7-5-10(16)12-11(6-7)19-14-8(13(12)17)3-2-4-9(14)15/h2-6,15-16H,1H3
INCHIAUX=IQIGECASJMDDMD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429100
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429100
SCANS=1
83.932098	89.5
95.014999	76.5
99.926498	517.0
102.933998	582.5
108.022003	146.5
116.932404	353.0
123.009903	294.0
126.053299	87.5
130.044601	141.0
132.021393	118.5
135.006607	102.5
142.048203	432.0
144.022003	175.0
146.040497	228.0
146.939499	247.5
149.995193	727.0
151.861099	149.5
153.867401	91.5
154.044998	87.0
155.862305	258.0
157.0298	67.5
158.037903	4116.0
161.032104	168.0
167.861694	1407.0
168.870499	70.5
170.037796	1112.5
172.017197	1342.0
173.870697	116.0
174.033798	630.0
185.022903	521.5
186.033005	9541.5
195.181198	150.0
197.025696	102.5
198.032593	2778.0
200.0112	255.5
202.028397	352.0
203.834198	88.0
204.006393	236.0
213.022598	972.5
214.028	8689.0
229.013397	372.5
230.022598	5997.5
241.013107	84.0
242.022705	492443.0
242.103394	6363.5
242.182907	25864.0
242.300293	13073.5
242.397507	2923.5
257.042206	79327.5
257.213989	902.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429101
PEPMASS=287.056
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=1,6-dihydroxy-3,5-dimethoxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(OC)C=C2OC3=C(OC)C(O)=CC=C31
INCHI=InChI=1S/C15H12O6/c1-19-7-5-10(17)12-11(6-7)21-14-8(13(12)18)3-4-9(16)15(14)20-2/h3-6,16-17H,1-2H3
INCHIAUX=VKZMZDFCRUHZNI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429101
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429101
SCANS=1
79.957298	135.666702
98.939003	60.0
99.925301	34.666698
100.935402	417.666687
116.924896	23.6667
123.687599	25.6667
141.258606	24.3333
144.927597	28.3333
151.923798	44.333302
153.921906	45.333302
156.014694	25.6667
156.869904	67.666702
157.027893	50.0
161.028503	33.333302
164.734207	41.0
165.019897	35.0
173.027802	33.666698
174.865601	63.0
176.859207	38.666698
177.910294	30.0
192.521805	26.3333
196.968002	28.3333
199.053802	52.666698
199.851593	129.333298
201.018295	203.666702
204.992599	25.3333
206.820694	27.3333
213.014893	34.666698
221.906906	30.6667
223.367203	28.0
226.045395	30.6667
228.043198	63.333302
229.014404	3558.0
237.411301	24.3333
243.030899	667.0
246.925797	33.666698
257.010193	97293.0
257.093201	128.333298
257.174408	1663.333252
257.295105	418.666687
259.059509	67.333298
267.263489	35.0
268.216309	33.0
271.025909	492.666687
272.033905	254826.328125
272.118286	1521.666748
272.202606	9434.333008
272.326904	4056.666748
272.429901	458.0
287.056213	4050.333252
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429102
PEPMASS=409.164
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=9-hydroxycalabaxanthone [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=C/C(C)=C\Cc1c2C(=O)c3c(O)c4C=CC(C)(C)Oc4cc3Oc2cc(O)c1OC
INCHI=InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3
INCHIAUX=HQWHKELJHUFLGD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429102
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429102
SCANS=1
255.064896	517.0
264.077515	1173.0
267.063293	459.0
271.059998	1534.0
273.039093	410.0
279.100586	842.0
281.081512	714.0
282.0849	597.0
283.058411	2316.0
283.09671	679.0
287.058197	507.0
289.083313	472.0
292.072296	2937.0
295.058594	4092.0
297.037689	483.0
297.111511	1860.0
299.054413	4932.0
305.078796	380.0
307.094788	3014.0
308.0672	590.0
309.0354	416.0
309.0755	3378.0
310.045197	676.0
310.082092	1714.0
311.053802	2614.0
311.089691	2575.0
317.082794	669.0
320.066986	7653.0
323.054993	43881.0
325.106506	9385.0
331.132202	1163.0
333.076508	1143.0
335.090698	16919.0
337.072113	2932.0
338.078003	15915.0
347.089691	2400.0
348.093414	1068.0
351.085999	4121.0
353.102112	189686.0
353.295197	1266.0
358.124115	652.0
361.105988	4445.0
363.125	481.0
365.101105	5430.0
368.120209	356.0
376.129486	1879.0
379.116791	6884.0
391.151794	2308.0
394.137604	948.0
409.16391	18382.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429103
PEPMASS=411.182
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=alpha-mangostin [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=C/C(C)=C\Cc1c(O)c2C(=O)c3c(cc(O)c(OC)c3C\C=C(/C)C)Oc2cc1O
INCHI=InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
INCHIAUX=GNRIZKKCNOBBMO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429103
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429103
SCANS=1
165.017502	304.333313
215.070099	880.666687
225.054199	521.666687
228.041595	995.666687
241.048599	303.0
243.065002	3915.666748
249.090393	449.666687
253.048798	1355.666748
256.036011	2522.0
265.048187	523.666687
266.090515	299.0
270.050812	539.333313
271.060699	46428.667969
277.085907	8005.333496
279.067688	987.666687
281.03891	1203.0
282.052399	2509.666748
284.031708	29269.666016
285.075195	403.666687
286.042511	2471.333252
291.101288	832.666687
293.044006	7038.0
294.086395	3708.666748
296.067688	288.0
297.040009	18988.0
297.076385	2506.0
299.055695	187495.671875
299.23291	4853.0
299.36319	851.0
304.072815	1404.333252
305.079712	3954.333252
307.060608	25286.666016
309.112701	1473.666748
311.054901	8728.666992
313.069794	1814.666748
319.095795	8099.0
321.076202	668.333313
322.084015	47990.332031
325.071106	12661.0
327.122589	743.333313
337.107788	126895.0
337.295898	1575.666748
340.092987	1409.333252
353.101807	419.666687
355.117706	314420.34375
355.2164	293.333313
355.311188	10841.0
355.453491	3210.333252
356.315491	344.666687
411.179504	1986.666748
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429104
PEPMASS=429.192
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=butyraxanthone D [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)CCCC(C)(C)O
INCHI=InChI=1S/C24H28O7/c1-13(6-5-9-24(2,3)29)7-8-15-20-19(12-17(27)23(15)30-4)31-18-11-14(25)10-16(26)21(18)22(20)28/h7,10-12,25-27,29H,5-6,8-9H2,1-4H3
INCHIAUX=VQIHPPHJAYRDMW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429104
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429104
SCANS=1
69.069504	114.0
123.1138	209.0
203.066803	115.0
213.057297	127.0
216.039993	93.0
217.047195	133.0
231.0672	748.0
241.052597	752.0
253.052597	180.0
255.065903	105.0
257.045807	136.0
258.054199	203.0
259.060699	2904.0
260.076996	297.0
267.064911	291.0
269.045105	505.0
272.031799	3228.0
281.045288	130.0
281.079315	334.0
283.059204	113.0
285.040009	1720.0
287.055908	19472.0
294.050507	93.0
295.061096	910.0
295.095795	468.0
296.111511	92.0
299.055511	252.0
300.060303	253.0
301.072388	1997.0
302.082214	308.0
308.071014	242.0
309.077087	1052.0
311.051514	453.0
313.072388	161.0
315.085999	1389.0
316.103088	242.0
321.095215	108.0
322.080505	124.0
323.088989	1070.0
327.085693	249.0
329.102509	658.0
330.093292	119.0
337.108093	94.0
340.090302	107.0
341.101196	328.0
343.118011	640.0
355.118195	764.0
393.171509	189.0
411.183197	488.0
412.193909	131.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429105
PEPMASS=429.191
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=cratoxylone [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CCC(C)(C)O)O)O)OC)C
INCHI=InChI=1S/C24H28O7/c1-12(2)6-7-14-19-17(11-16(26)23(14)30-5)31-18-10-15(25)13(8-9-24(3,4)29)21(27)20(18)22(19)28/h6,10-11,25-27,29H,7-9H2,1-5H3
INCHIAUX=JSXIWUDODLMCGG-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429105
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429105
SCANS=1
167.033905	165.666702
225.0513	405.0
235.082199	173.0
243.065094	869.333313
249.088806	323.0
254.056396	215.0
256.036011	740.333313
265.048401	296.333313
270.05249	191.333298
271.060486	22396.333984
277.085693	4488.666504
279.06601	251.0
279.093414	253.666702
281.043915	340.333313
281.081787	144.666702
282.050812	1389.0
284.031891	10188.0
287.058899	419.0
291.099396	396.666687
293.044586	3074.666748
294.088898	1722.333252
296.069397	220.666702
297.040314	8696.666992
297.075989	1899.666748
299.055603	69128.664062
299.233307	517.666687
304.072693	768.0
305.079987	1802.333252
307.060394	11495.0
309.111511	722.333313
311.055389	4359.333496
312.105988	256.0
313.105988	193.666702
319.096313	4826.0
321.08139	368.666687
322.084503	22430.0
323.05191	271.333313
324.056885	444.666687
325.071014	5389.0
327.12149	331.0
337.108093	83331.0
337.296692	640.333313
339.080109	214.0
341.095215	157.666702
353.105896	191.333298
354.121185	394.333313
355.118103	224875.671875
355.311401	6124.666504
355.453888	1182.0
411.181213	309.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429106
PEPMASS=429.191
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=garcinone D [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CCC(C)(C)O)O)C
INCHI=InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3
INCHIAUX=TYALNCRUIKOKGP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429106
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429106
SCANS=1
165.019394	117.5
181.0625	103.25
225.054703	104.0
228.0401	115.5
243.064407	623.25
249.090897	164.5
251.0728	101.25
253.046402	153.0
254.057602	119.0
255.062897	99.5
256.050293	330.5
265.052094	113.25
271.058411	13543.0
277.085602	2838.0
279.075714	235.25
281.045288	224.0
282.053894	781.5
284.031494	6808.0
286.042114	615.75
287.056	215.75
291.094208	286.5
293.043488	2100.25
294.086609	887.75
295.094604	243.75
296.062988	255.5
297.036804	6163.0
297.074585	1463.25
299.054993	45237.5
299.233002	171.75
304.069489	467.0
305.080902	1200.0
307.059387	7907.0
309.111389	737.25
311.051514	3001.0
313.097595	153.5
319.094788	3266.0
321.070801	194.75
322.083405	14792.25
324.058289	287.75
325.071686	3383.25
327.117493	201.25
337.107513	52061.0
337.296112	171.5
339.078888	100.25
354.104309	227.75
355.118286	134104.25
355.311188	2765.75
355.454315	390.75
358.131287	142.5
411.186096	205.75
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429107
PEPMASS=479.244
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=isocowanin [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(O)C(=C2OC3=CC(O)=C(OC)C(=C13)CC=C(C)CCC=C(C)C)CC=C(C)C
INCHI=InChI=1S/C29H34O6/c1-16(2)8-7-9-18(5)11-13-20-25-24(15-23(32)28(20)34-6)35-29-19(12-10-17(3)4)21(30)14-22(31)26(29)27(25)33/h8,10-11,14-15,30-32H,7,9,12-13H2,1-6H3
INCHIAUX=SOCAUSWRRPKJMP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429107
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429107
SCANS=1
69.069199	418.200012
123.116302	855.799988
243.063507	348.600006
256.035797	813.200012
270.049408	342.799988
271.057495	2332.399902
284.031494	693.400024
285.038086	1202.400024
285.048004	366.200012
285.075195	1237.0
287.049988	741.599976
297.038086	716.400024
299.054596	146906.59375
299.232605	4665.200195
299.362396	1133.199951
302.070404	403.600006
307.059509	465.0
307.098206	535.799988
309.075714	562.799988
311.055115	559.200012
313.071106	11183.599609
321.07489	1181.400024
323.089691	959.0
325.070312	810.400024
325.107086	558.599976
327.08609	8554.799805
335.091492	1593.0
337.106812	1108.800049
339.079315	1184.400024
340.092712	1150.800049
341.101807	8181.600098
349.106812	1079.0
353.105408	4105.799805
355.11731	56606.398438
363.122803	729.599976
367.117401	7321.399902
369.131805	3518.199951
377.137604	960.400024
379.118713	370.399994
381.128296	863.799988
383.148987	2428.399902
391.152802	1033.400024
395.147888	609.599976
397.164001	2281.600098
405.169495	3926.600098
409.164093	1394.599976
411.181488	4348.200195
423.178101	12774.0
461.231812	861.200012
479.241089	7074.399902
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429108
PEPMASS=495.239
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=isocowanol [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C(=C3O2)CC=C(C)CO)O)O)O)OC)C)C
INCHI=InChI=1S/C29H34O7/c1-16(2)7-6-8-17(3)9-12-20-25-24(14-23(33)28(20)35-5)36-29-19(11-10-18(4)15-30)21(31)13-22(32)26(29)27(25)34/h7,9-10,13-14,30-33H,6,8,11-12,15H2,1-5H3
INCHIAUX=OCKLFXKYZPPEFU-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429108
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429108
SCANS=1
123.1194	462.0
201.053406	628.0
253.085007	544.0
279.098999	481.0
283.096985	806.0
287.054993	646.0
292.073212	503.0
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297.111511	552.0
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309.075989	912.0
310.082306	677.0
320.067993	1350.0
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325.1073	3158.0
333.078308	482.0
335.090912	3180.0
337.069489	1521.0
338.077301	3672.0
339.120911	439.0
341.102112	661.0
347.093201	671.0
349.107788	645.0
351.087402	2910.0
352.102905	532.0
353.102905	82870.0
361.110413	1373.0
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365.101196	1954.0
367.116791	6575.0
371.113495	1447.0
372.111511	570.0
375.121796	1822.0
377.103394	645.0
377.131989	435.0
379.11969	956.0
381.132294	3692.0
389.138489	1909.0
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393.131989	992.0
395.148193	3010.0
403.149597	422.0
407.149689	1270.0
409.163788	5775.0
419.14389	486.0
421.164001	4023.0
459.213898	1358.0
477.226807	3220.0
495.246613	457.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429109
PEPMASS=429.191
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=parvixanthone G [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(C)(CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)O)C
INCHI=InChI=1S/C24H28O7/c1-13(2)6-5-8-24(3,29)9-7-15-20-19(12-17(27)23(15)30-4)31-18-11-14(25)10-16(26)21(18)22(20)28/h6,10-12,25-27,29H,5,7-9H2,1-4H3
INCHIAUX=BPANZWARHZNCBM-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429109
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429109
SCANS=1
69.082901	81.0
83.0867	41.5
121.065498	46.0
123.110901	53.0
145.099899	44.0
147.115005	44.5
157.112396	45.0
203.066696	51.5
213.052795	55.5
216.041595	64.0
231.065399	362.5
241.049805	139.5
243.063995	35.0
244.037094	56.5
245.040894	92.0
246.803696	59.5
253.048706	35.5
258.06131	195.0
259.059601	1044.5
267.067505	76.0
267.909302	37.5
269.039215	216.0
272.031006	1402.0
281.047089	338.5
285.039398	451.5
287.054291	6199.5
295.059296	177.0
295.174103	66.5
297.080109	40.0
299.053314	271.5
301.069092	397.5
308.064911	59.5
309.053802	282.5
310.082001	172.5
315.084808	577.0
323.087311	129.0
325.115204	95.5
327.085114	62.5
329.10141	138.5
331.959686	111.5
337.104706	69.0
341.103088	86.5
343.117615	194.5
346.985687	75.0
354.117401	55.0
355.107391	167.5
382.127289	36.0
393.163605	57.0
411.174896	78.0
429.306213	93.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429110
PEPMASS=303.087
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=5-hydroxy-1,2,3-trimethoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(OC)C(OC)=C(OC)C=C2OC3=C(O)C=CC=C31
INCHI=InChI=1S/C16H14O6/c1-19-11-7-10-12(16(21-3)15(11)20-2)13(18)8-5-4-6-9(17)14(8)22-10/h4-7,17H,1-3H3
INCHIAUX=BQFIZOHBSDOURY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429110
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429110
SCANS=1
121.027901	2788.333252
136.015396	8516.5
171.044098	10039.5
174.031097	4957.833496
185.059097	5708.0
189.054504	6426.5
196.051697	2104.0
197.059097	3081.166748
199.0392	13519.0
202.026505	33690.667969
212.046402	4092.0
213.054993	78195.835938
213.204605	2407.0
215.035004	3323.833252
216.041306	8690.166992
224.046494	2783.833252
225.054306	5111.0
227.034393	27512.666016
228.040497	12590.666992
231.064804	2668.833252
240.041107	2678.5
241.049698	143510.0
241.209305	5948.0
243.026993	3342.166748
243.060196	6291.0
244.037292	9581.666992
245.047394	392701.65625
245.126495	6922.166504
245.205093	24969.833984
245.245499	6571.333496
245.285202	6415.166504
245.3228	10090.666992
245.358704	1972.333252
245.421707	5014.333496
253.049301	2008.0
257.044708	7728.666504
259.061005	149154.5
259.225311	4627.333496
259.3461	2128.5
269.0448	63098.832031
271.024597	25073.5
271.061096	10833.5
273.041412	296737.15625
273.125214	3392.166748
273.209015	14259.166992
273.253387	3586.833252
273.333801	6585.166504
273.437012	3256.5
285.040009	24650.0
287.055603	45015.667969
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429111
PEPMASS=275.055
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=1,3,5-trihydroxy-2-methoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=COC1=C(O)C=C(C2=C1O)OC3=C(O)C=CC=C3C2=O
INCHI=InChI=1S/C14H10O6/c1-19-14-8(16)5-9-10(12(14)18)11(17)6-3-2-4-7(15)13(6)20-9/h2-5,15-16,18H,1H3
INCHIAUX=JAOZFCHZESUBKS-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429111
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429111
SCANS=1
77.036797	184.0
91.049797	216.0
92.0252	1710.5
102.045197	1123.0
104.024696	93.5
105.0327	284.5
106.042297	154.0
108.0187	161.0
115.059502	119.5
118.041603	743.0
120.019997	13737.0
127.053398	136.5
130.041107	3572.5
131.052505	139.0
132.057297	76.5
134.036102	689.5
135.043701	191.5
136.014603	3387.0
139.002701	497.5
140.023895	145.5
142.038605	78.0
145.029404	242.5
147.043106	1245.5
158.034805	2170.5
160.050705	220.0
161.022598	1396.0
162.030701	6380.5
168.018005	166.0
171.041504	286.5
172.015594	168.0
173.022598	905.0
173.051193	135.5
175.038406	292.5
176.0457	1551.0
186.029999	6752.0
189.017593	8475.0
197.021103	105.5
201.048492	450.5
203.033005	2237.5
214.024902	12446.0
219.179398	82.5
229.010895	107.0
229.049698	299.5
231.028503	10967.5
242.019302	333.5
243.027603	2016.0
259.022797	1252.5
260.031403	57495.5
260.196686	358.5
275.053497	95.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429112
PEPMASS=275.056
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=1,5,6-dihydroxy-3-methoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=OC1=C2C(OC3=C(O)C(O)=CC=C3C2=O)=CC(OC)=C1
INCHI=InChI=1S/C14H10O6/c1-19-6-4-9(16)11-10(5-6)20-14-7(12(11)17)2-3-8(15)13(14)18/h2-5,15-16,18H,1H3
INCHIAUX=JHOYIGDPCIBYKV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429112
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429112
SCANS=1
102.046204	198.5
103.053703	366.5
107.012199	628.0
108.019402	530.5
115.053497	773.0
117.069702	198.5
121.027298	1433.0
123.006302	308.5
127.053497	268.0
130.0401	268.0
131.048294	581.5
135.0793	240.5
145.063599	452.0
149.024307	199.0
152.009903	1331.0
153.0159	409.0
155.048401	329.5
158.034607	390.0
159.044098	207.5
160.051895	219.5
163.075195	273.0
167.033096	933.0
171.044098	627.5
172.049896	176.0
173.059906	837.0
176.046799	783.0
177.016602	301.5
177.053406	578.5
186.030304	1576.0
187.037704	1731.0
191.069397	523.5
199.039001	368.5
201.054001	5115.5
203.032593	461.0
204.041107	1262.5
205.046997	559.5
214.025406	2342.0
215.033493	5266.0
219.026901	401.5
219.064499	1302.0
228.041306	296.5
229.049194	3334.0
231.028702	2668.5
232.036896	26709.0
242.0177	187.5
243.026703	337.0
247.061401	309.5
257.044495	1023.5
260.031494	3347.0
275.054596	4833.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429113
PEPMASS=289.075
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=1,5-dihydroxy-2,3-dimethoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=COC1=C(OC)C=C(C2=C1O)OC3=C(O)C=CC=C3C2=O
INCHI=InChI=1S/C15H12O6/c1-19-10-6-9-11(13(18)15(10)20-2)12(17)7-4-3-5-8(16)14(7)21-9/h3-6,16,18H,1-2H3
INCHIAUX=APPOIVIWJAIHBI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429113
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429113
SCANS=1
92.024902	24597.833984
107.011902	891.0
115.0532	9307.833008
118.041901	2013.833252
121.023697	1372.5
123.005699	680.5
128.061096	717.666687
131.049103	1906.0
136.010696	2111.833252
142.040405	795.666687
144.055893	16618.666016
146.037003	1381.5
151.0	1068.833252
155.047699	1481.166748
159.047302	1000.166687
170.036697	567.166687
171.042694	131611.828125
171.178299	3870.333252
171.276398	920.0
186.031204	585.333313
198.026505	2447.0
199.037292	17094.833984
200.046402	109974.5
200.191803	3978.833252
200.298203	1726.0
202.025101	1636.666748
202.036301	765.833313
214.022598	800.0
215.034302	2731.166748
226.024994	13975.5
228.041794	343497.84375
228.121094	4702.5
228.197006	18820.5
228.236801	4150.833496
228.273102	2536.833252
228.310806	8755.333008
228.345596	1054.333252
228.405396	3984.666748
229.166794	806.0
231.028793	19183.833984
244.036102	7374.166504
245.044098	21264.333984
255.026596	2314.333252
256.036011	82252.664062
256.201202	2424.666748
256.321991	567.333313
259.023285	3199.666748
273.037689	6059.333496
274.046997	8510.333008
289.071198	886.833313
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429114
PEPMASS=259.06
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=1,5-dihydroxy-3-methoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(OC)C=C2OC3=C(O)C=CC=C31
INCHI=InChI=1S/C14H10O5/c1-18-7-5-10(16)12-11(6-7)19-14-8(13(12)17)3-2-4-9(14)15/h2-6,15-16H,1H3
INCHIAUX=IQIGECASJMDDMD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429114
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429114
SCANS=1
91.016197	1631.0
91.053101	1850.0
103.052498	1772.0
105.032303	1947.0
107.011299	11184.0
115.0532	11751.0
117.068802	1820.0
118.041	952.0
121.027603	1687.0
123.0065	5973.0
127.052696	12496.0
131.047607	6454.0
136.014404	10005.0
138.029404	1069.0
139.053802	892.0
142.040497	1993.0
143.046997	7155.0
146.034103	1341.0
147.044296	1196.0
147.0793	2166.0
155.047897	7982.0
157.063507	2310.0
160.051193	11802.0
161.0224	4441.0
167.032593	996.0
170.0354	4069.0
171.043304	21760.0
173.021301	1044.0
175.074295	4947.0
183.042404	1515.0
185.058197	2842.0
187.0383	5526.0
188.046295	34183.0
198.030197	12389.0
199.038101	36257.0
201.051407	1121.0
203.032806	2893.0
203.069595	6442.0
211.037598	1073.0
213.052994	2404.0
215.033096	25514.0
216.041504	187326.0
216.192398	3315.0
226.024902	1360.0
227.032394	5478.0
229.047897	1412.0
231.064697	14337.0
241.048996	859.0
244.035706	12248.0
259.059601	27396.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429115
PEPMASS=289.071
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=1,6-dihydroxy-3,5-dimethoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(OC)C=C2OC3=C(OC)C(O)=CC=C31
INCHI=InChI=1S/C15H12O6/c1-19-7-5-10(17)12-11(6-7)21-14-8(13(12)18)3-4-9(16)15(14)20-2/h3-6,16-17H,1-2H3
INCHIAUX=VKZMZDFCRUHZNI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429115
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429115
SCANS=1
115.0541	440.0
122.035599	330.0
123.006699	617.0
131.047104	489.0
133.063904	437.5
136.016296	368.0
143.049393	720.5
147.043503	1689.0
150.030594	744.0
151.002396	820.5
151.038406	1494.5
158.035797	358.5
160.051407	470.5
161.058701	2146.0
167.032806	2123.5
170.034393	598.5
171.043198	2481.0
172.050003	1039.0
175.0383	2161.0
186.030502	334.5
187.039093	919.5
189.017502	610.5
189.053299	908.5
190.0616	2787.5
192.040695	589.5
198.031403	411.5
199.038498	1064.5
200.046402	3399.5
202.025101	498.5
203.033401	5206.5
213.018204	680.5
215.033203	709.0
216.040894	2857.5
217.049698	48978.5
227.033997	1024.5
228.040497	1629.5
229.048798	3366.0
231.0289	12740.5
244.036301	4085.5
245.044601	28633.0
246.052597	64226.5
246.213593	844.5
256.034393	393.5
257.044495	607.0
259.02301	1492.0
273.039612	1811.0
274.047791	136499.0
274.217407	3480.0
274.342194	463.5
289.071899	724.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429116
PEPMASS=303.086
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=1-hydroxy-3,5,6-trimethoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(OC)C=C2OC3=C(OC)C(OC)=CC=C31
INCHI=InChI=1S/C16H14O6/c1-19-8-6-10(17)13-12(7-8)22-15-9(14(13)18)4-5-11(20-2)16(15)21-3/h4-7,17H,1-3H3
INCHIAUX=MNLGBRDSLUAKRO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429116
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429116
SCANS=1
115.057602	787.200012
120.021797	1231.599976
123.007202	877.799988
128.065308	2050.600098
135.039597	632.0
137.022598	894.599976
143.048798	1071.800049
156.056198	1283.400024
161.022202	694.599976
165.018097	1217.800049
171.041107	3606.399902
175.042603	635.799988
175.074097	659.400024
183.043198	717.799988
184.061005	6088.799805
187.046906	777.799988
188.045593	1454.800049
199.038605	8779.200195
203.033096	2612.800049
203.069504	2460.600098
212.043701	2648.199951
213.052902	19463.0
215.0336	1256.199951
216.041794	14106.0
227.033096	23972.800781
230.056305	27409.800781
231.027603	528.200012
241.047607	6889.600098
242.056107	155020.40625
242.217102	3115.399902
244.035995	8468.799805
245.043396	18042.599609
255.033005	555.599976
257.043304	617.400024
258.049896	10233.599609
259.059204	402260.40625
259.144196	1143.0
259.225098	12785.599609
259.267212	556.200012
259.3461	5502.799805
259.446899	747.0
269.0448	2219.600098
270.051086	680.400024
271.060089	25628.0
273.038513	8354.400391
285.040314	14821.200195
287.054291	280963.0
287.22879	7082.799805
287.356689	1995.400024
303.086914	4998.799805
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429118
PEPMASS=407.15
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=9-hydroxycalabaxanthone [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=C/C(C)=C\Cc1c2C(=O)c3c(O)c4C=CC(C)(C)Oc4cc3Oc2cc(O)c1OC
INCHI=InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3
INCHIAUX=HQWHKELJHUFLGD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429118
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429118
SCANS=1
173.059601	407.166687
175.003403	272.666687
237.0914	247.0
241.012497	353.5
250.062302	419.166687
255.027695	437.0
263.068787	286.333313
265.046387	555.333313
267.027313	560.166687
275.067993	361.833313
277.050293	425.666687
278.057404	563.333313
279.028503	817.333313
281.042786	1331.833252
283.023499	259.333313
291.029297	771.666687
291.065186	1593.5
293.045288	4263.5
294.05191	383.666687
295.0242	769.666687
296.031006	376.0
303.065613	375.833313
305.044891	5777.833496
305.080994	237.0
308.067596	347.833313
309.075897	10953.333008
317.044312	667.0
319.025299	3040.5
319.06131	1586.833252
320.064789	309.666687
321.076508	717.5
322.046387	1540.0
331.060486	6133.333496
333.039612	10608.333008
337.071411	6139.333496
343.060608	478.0
345.074585	789.666687
347.053101	1081.333252
349.071411	18922.166016
355.095093	654.833313
357.076111	1049.333252
359.091095	2199.666748
361.069305	637.0
363.085388	337.166687
363.121094	714.166687
373.106201	3855.0
375.121887	3388.5
376.125305	254.666702
377.101501	1322.5
391.118011	2730.833252
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429119
PEPMASS=409.165
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=alpha-mangostin [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=C/C(C)=C\Cc1c(O)c2C(=O)c3c(cc(O)c(OC)c3C\C=C(/C)C)Oc2cc1O
INCHI=InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
INCHIAUX=GNRIZKKCNOBBMO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429119
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429119
SCANS=1
214.025696	97.0
226.027695	232.0
239.0345	110.5
242.022202	901.0
254.023605	186.0
255.029999	3021.0
267.029694	4041.0
281.045288	218.0
282.016815	4422.0
283.056702	151.5
284.032501	235.0
291.067993	110.0
295.024414	6617.5
296.067688	238.0
297.081604	145.0
298.084412	375.0
306.054504	520.5
307.024414	12273.5
307.095398	110.5
309.074005	111.5
310.045502	214.0
311.092102	9342.0
317.046509	156.0
319.060913	1426.5
320.071686	877.5
321.010101	95.0
321.041595	268.5
321.076691	120.5
323.055695	439.0
325.116913	93.0
326.082397	103.0
331.060913	1045.0
332.067291	472.5
335.056305	739.5
336.069489	290.0
339.086914	3338.5
347.088013	101.5
349.073914	371.5
351.086914	17792.5
351.128601	103.5
353.104492	144.0
354.105286	92.5
361.108185	380.0
362.115509	587.5
365.102905	386.5
365.138397	233.0
375.122894	3390.5
377.138397	1773.5
379.118896	362.0
393.133789	669.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429120
PEPMASS=427.175
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=butyraxanthone D [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)CCCC(C)(C)O
INCHI=InChI=1S/C24H28O7/c1-13(6-5-9-24(2,3)29)7-8-15-20-19(12-17(27)23(15)30-4)31-18-11-14(25)10-16(26)21(18)22(20)28/h7,10-12,25-27,29H,5-6,8-9H2,1-4H3
INCHIAUX=VQIHPPHJAYRDMW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429120
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429120
SCANS=1
151.008102	50.5
155.053101	39.0
197.063293	41.5
199.044907	69.0
207.083893	29.5
215.036896	36.5
230.021698	520.5
235.079498	112.5
239.035797	150.5
241.014801	40.0
242.024002	78.5
243.030502	1124.5
243.052994	65.5
255.033905	33.5
258.017395	315.0
263.072296	567.0
265.051514	119.0
267.025085	35.5
271.0242	5357.0
279.065704	139.5
281.046112	106.0
281.085205	40.0
282.01651	33.0
283.024109	5140.0
286.043213	37.0
292.041809	31.5
293.047302	95.5
294.057587	36.5
295.026489	159.0
295.060913	123.5
297.039307	103.5
297.074493	323.0
306.054901	146.0
307.060608	23221.5
310.041901	86.5
310.082001	79.5
321.073608	423.0
325.071106	23020.0
335.084991	33.0
339.087585	621.0
339.141205	46.0
353.104706	473.0
354.110107	59.5
383.149689	106.0
393.13501	502.5
395.150909	642.5
395.191803	50.0
397.129913	165.0
411.141388	109.0
411.167786	74.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429121
PEPMASS=427.175
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=cratoxylone [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CCC(C)(C)O)O)O)OC)C
INCHI=InChI=1S/C24H28O7/c1-12(2)6-7-14-19-17(11-16(26)23(14)30-5)31-18-10-15(25)13(8-9-24(3,4)29)21(27)20(18)22(19)28/h6,10-11,25-27,29H,7-9H2,1-5H3
INCHIAUX=JSXIWUDODLMCGG-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429121
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429121
SCANS=1
229.015503	87.875
229.055893	23.75
240.032501	28.25
242.020401	231.0
243.033997	55.625
243.071503	55.125
255.031494	52.75
256.038605	161.375
257.050995	44.5
267.065796	31.25
268.036407	27.75
269.039398	72.5
270.016815	647.625
271.060089	345.625
272.069305	26.375
281.058807	24.625
282.016907	375.875
283.023712	2836.625
285.041687	114.25
295.024902	192.625
296.032104	1490.625
298.056	30.875
299.053802	126.125
306.051788	116.125
309.041992	314.25
309.0784	23.875
311.055298	891.875
315.086914	26.75
316.096405	56.875
320.064911	42.5
321.069702	70.25
323.063995	39.75
325.109009	166.375
327.087006	73.125
329.101196	522.5
339.086304	809.5
351.085693	210.375
353.101898	3707.125
354.119598	37.875
357.097412	1832.5
369.096313	4010.25
379.109985	58.625
380.1297	81.0
383.113892	49.375
393.133392	360.875
395.149811	935.125
397.128387	144.5
411.140106	176.625
412.15271	157.375
427.174286	992.875
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429122
PEPMASS=427.175
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=garcinone D [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CCC(C)(C)O)O)C
INCHI=InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3
INCHIAUX=TYALNCRUIKOKGP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429122
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429122
SCANS=1
135.046707	225.5
227.037201	240.0
229.015701	275.0
240.044296	93.0
242.022003	1015.5
255.030396	516.0
256.036713	1095.5
267.030304	1710.5
269.008209	152.0
270.0177	2409.0
271.062286	334.5
281.045593	242.5
282.018005	1274.5
282.053894	453.0
283.023987	12121.5
293.040588	173.5
295.024994	663.0
295.061188	102.0
296.032104	1972.5
296.071289	134.0
297.040192	6437.0
297.077393	133.5
306.053894	426.0
307.023499	129.5
309.039215	1930.5
309.114807	115.5
311.054596	2829.5
311.091095	9132.0
316.096191	180.5
320.068512	85.5
321.07901	223.0
323.056793	112.5
324.064209	112.0
325.107697	2892.5
326.076202	133.0
329.104004	1427.0
335.0914	91.5
338.075806	138.5
339.0867	12711.0
341.098694	291.5
351.086609	1041.5
353.102112	33941.5
357.097412	5508.0
369.09729	14214.0
380.129303	271.5
383.117615	183.5
393.134888	1175.0
395.1492	7691.5
411.145111	524.5
412.15451	114.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429123
PEPMASS=477.228
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=isocowanin [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(O)C(=C2OC3=CC(O)=C(OC)C(=C13)CC=C(C)CCC=C(C)C)CC=C(C)C
INCHI=InChI=1S/C29H34O6/c1-16(2)8-7-9-18(5)11-13-20-25-24(15-23(32)28(20)34-6)35-29-19(12-10-17(3)4)21(30)14-22(31)26(29)27(25)33/h8,10-11,14-15,30-32H,7,9,12-13H2,1-6H3
INCHIAUX=SOCAUSWRRPKJMP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429123
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429123
SCANS=1
151.003098	406.5
242.024399	845.5
255.030502	447.5
256.033203	986.0
269.044586	801.166687
270.028107	382.666687
281.045288	486.333313
283.024414	2245.166748
291.028198	314.166687
291.065094	524.833313
295.024292	4439.5
298.077301	1356.5
306.058502	4085.666748
307.024109	1308.333252
309.034393	312.666687
309.075592	404.666687
311.101898	2252.833252
319.061707	12935.5
321.075806	454.0
325.105408	1093.5
326.078705	1388.666748
331.060211	4150.5
334.078094	393.333313
335.053986	598.333313
337.071106	4998.166504
339.085907	8752.5
349.070892	1215.166748
349.106293	519.0
351.086395	3659.0
353.101501	2092.833252
360.098114	459.0
363.088287	1327.333252
363.123291	548.666687
365.102905	901.333313
365.137695	1173.0
373.10791	332.666687
374.114502	405.166687
375.125885	67520.0
375.322296	640.5
377.095886	823.333313
378.142303	959.5
391.119202	1787.666748
393.132507	84033.164062
393.336914	1194.5
407.14859	1290.833252
419.150085	2153.333252
443.184387	643.166687
445.201294	1561.666748
447.179199	696.333313
461.197601	519.166687
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429124
PEPMASS=493.223
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=isocowanol [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C(=C3O2)CC=C(C)CO)O)O)O)OC)C)C
INCHI=InChI=1S/C29H34O7/c1-16(2)7-6-8-17(3)9-12-20-25-24(14-23(33)28(20)35-5)36-29-19(11-10-18(4)15-30)21(31)13-22(32)26(29)27(25)34/h7,9-10,13-14,30-33H,6,8,11-12,15H2,1-5H3
INCHIAUX=OCKLFXKYZPPEFU-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429124
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429124
SCANS=1
107.013802	399.666687
151.002808	2590.333252
173.058502	212.333298
242.021805	626.333313
256.039215	1102.333252
267.032501	191.666702
270.01651	492.666687
271.024811	862.0
281.045898	285.0
282.01651	381.333313
283.025085	1704.0
291.030304	361.666687
295.024994	6190.0
295.066193	200.0
296.072113	556.0
306.052795	6430.666504
307.025604	1008.0
309.075592	427.333313
314.080688	188.0
319.061798	1028.0
321.040894	472.0
321.072113	786.333313
323.056793	1325.333252
324.062988	4887.666504
327.087097	313.666687
331.062195	732.333313
333.075592	3626.666748
335.054901	374.0
337.070099	3711.0
339.086487	696.666687
342.077209	251.0
349.072998	1417.333252
355.082489	2151.0
361.106598	493.666687
363.093903	239.0
365.096008	211.0
367.081696	948.666687
373.107697	1672.0
375.122803	1474.333252
376.093109	259.666687
379.117401	592.666687
391.117889	12980.666992
394.102905	230.0
395.149597	207.0
407.150299	1274.333252
409.128693	26642.0
419.148987	10307.666992
447.184296	282.333313
461.197205	3676.0
477.197601	226.333298
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429125
PEPMASS=427.175
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=parvixanthone G [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(C)(CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)O)C
INCHI=InChI=1S/C24H28O7/c1-13(2)6-5-8-24(3,29)9-7-15-20-19(12-17(27)23(15)30-4)31-18-11-14(25)10-16(26)21(18)22(20)28/h6,10-12,25-27,29H,5,7-9H2,1-4H3
INCHIAUX=BPANZWARHZNCBM-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429125
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429125
SCANS=1
155.050095	33.0
171.0457	100.0
175.041199	41.75
185.058807	47.0
187.041504	58.5
198.0289	58.0
199.040298	280.75
200.042999	68.5
201.019806	77.25
211.039993	29.25
213.056396	158.5
215.034698	222.25
217.0504	62.5
227.033798	183.0
229.014297	32.25
229.051407	93.5
230.024704	314.75
239.035706	63.75
241.0504	290.25
242.023697	102.0
243.027603	14319.25
243.052994	32.75
256.035797	65.75
257.045288	942.25
258.019196	396.75
259.024506	1979.0
263.071289	34.5
267.031403	104.75
269.046112	50.75
271.026306	50646.5
283.025085	591.75
285.039886	32200.75
297.043091	140.0
307.060394	1018.0
309.076294	739.25
310.041901	61.25
311.058105	170.0
313.073914	90.75
315.052094	64.5
323.053802	58.5
325.071014	942.25
326.08139	63.5
327.0867	230.75
329.06601	1885.5
339.088104	166.0
353.104004	120.0
369.100311	91.0
379.121094	31.5
395.1492	2245.0
397.11911	575.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429126
PEPMASS=425.16
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=parvixanthone H [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(=C)C(CC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)O)C
INCHI=InChI=1S/C24H26O7/c1-12(2)6-5-7-13(3)16(26)10-15-21-20(11-18(28)24(15)30-4)31-19-9-14(25)8-17(27)22(19)23(21)29/h6,8-9,11,16,25-28H,3,5,7,10H2,1-2,4H3
INCHIAUX=OHYCEMYXJPUHRB-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429126
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429126
SCANS=1
135.046295	457.666687
255.029099	816.333313
263.072601	196.333298
267.032715	316.666687
269.046295	324.5
270.015991	244.0
279.02829	548.833313
279.068512	223.666702
281.051392	444.166687
283.0242	6425.666504
291.065399	2051.833252
293.045013	1771.666748
294.05249	5345.166504
297.039795	14698.5
305.081787	705.0
307.061493	2824.5
307.097595	293.166687
308.067688	1227.0
309.035004	2148.0
309.076111	61022.332031
311.053894	731.0
319.075897	788.666687
321.040497	3960.666748
321.079987	638.666687
323.058899	3656.333252
323.090912	12405.166992
327.052307	349.166687
333.076508	2466.166748
335.056305	3077.333252
336.062988	5309.833496
337.071106	78393.0
337.259186	204.0
339.0867	9128.666992
340.093414	602.166687
341.070007	323.166687
349.071686	849.166687
351.090393	148932.671875
351.278595	1748.0
353.102112	10460.333008
363.088287	283.5
367.081696	344.166687
369.096893	244.166702
375.122986	424.666687
377.104706	1129.166748
380.092804	310.833313
393.133789	35172.167969
395.113892	1624.333252
395.148895	2151.166748
409.129791	1001.5
425.15509	3473.666748
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429127
PEPMASS=409.165
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=rubraxanthone [M-H]-
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)C)C
INCHI=InChI=1S/C24H26O6/c1-13(2)6-5-7-14(3)8-9-16-21-20(12-18(27)24(16)29-4)30-19-11-15(25)10-17(26)22(19)23(21)28/h6,8,10-12,25-27H,5,7,9H2,1-4H3
INCHIAUX=JLTSTSRANGPLOQ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429127
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429127
SCANS=1
151.003403	103.800003
173.062805	56.799999
183.013	47.400002
186.026306	53.599998
197.059906	48.799999
199.041794	185.199997
207.083603	79.0
211.074997	87.800003
213.055893	149.0
215.0336	54.0
227.041306	50.599998
229.013397	42.200001
230.021393	445.0
233.067307	62.599998
235.075607	276.399994
239.034607	100.599998
239.071106	128.600006
242.023804	100.199997
243.030197	1134.800049
251.074707	94.599998
257.0466	344.200012
258.017487	209.0
263.071808	1726.0
265.050415	391.200012
267.020508	44.799999
271.024902	1218.0
272.034607	55.200001
279.066315	262.799988
280.033295	48.0
281.044891	280.799988
281.079407	42.0
283.025513	704.599976
285.039398	206.800003
289.054291	68.800003
292.040192	76.0
293.0448	62.599998
295.024689	492.0
295.058014	281.799988
297.040405	46.599998
297.076202	375.799988
306.052612	224.800003
307.060699	31361.199219
309.0401	395.399994
309.071808	330.600006
310.048309	334.0
323.056702	81.0
325.071686	8804.599609
377.145813	61.200001
394.143799	100.400002
409.164398	2457.399902
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429128
PEPMASS=301.073
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=5-hydroxy-1,2,3-trimethoxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(OC)C(OC)=C(OC)C=C2OC3=C(O)C=CC=C31
INCHI=InChI=1S/C16H14O6/c1-19-11-7-10-12(16(21-3)15(11)20-2)13(18)8-5-4-6-9(17)14(8)22-10/h4-7,17H,1-3H3
INCHIAUX=BQFIZOHBSDOURY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429128
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429128
SCANS=1
65.003304	342.0
79.958702	820.0
88.032799	1031.0
92.998497	724.0
99.025299	280.0
100.032402	1905.0
104.027496	1713.0
112.032303	575.0
115.055801	661.0
116.027802	25939.0
125.041	312.0
127.057297	287.0
128.027695	14412.0
131.050995	500.0
132.0224	2221.0
139.020493	257.0
140.028397	206.0
141.036102	1535.0
143.050995	1873.0
144.022797	61038.0
153.035507	1665.0
155.049698	773.0
156.022293	20707.0
159.044495	1190.0
167.014893	383.0
169.029694	3533.0
171.0448	1376.0
172.0177	129356.0
172.152405	1069.0
181.030197	1228.0
182.036697	709.0
183.046097	761.0
184.017197	23094.0
185.022293	7451.0
195.044296	209.0
197.024704	1427.0
198.032394	5234.0
199.040405	3385.0
200.012802	145441.0
200.158295	1520.0
200.263504	358.0
211.039795	786.0
212.011703	8063.0
225.019196	2159.0
227.033905	1225.0
228.007202	68831.0
242.022293	7655.0
256.002106	4633.0
269.002808	302.0
271.024292	569.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429129
PEPMASS=273.042
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=1,3,5-trihydroxy-2-methoxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=COC1=C(O)C=C(C2=C1O)OC3=C(O)C=CC=C3C2=O
INCHI=InChI=1S/C14H10O6/c1-19-14-8(16)5-9-10(12(14)18)11(17)6-3-2-4-7(15)13(6)20-9/h2-5,15-16,18H,1H3
INCHIAUX=JAOZFCHZESUBKS-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429129
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429129
SCANS=1
65.003601	839.5
77.041603	100.5
89.039902	229.0
91.019302	526.0
93.035698	253.75
95.014297	898.5
100.032997	155.0
101.040398	1006.25
103.020401	190.5
104.027603	722.5
108.022102	773.25
113.039497	525.0
115.017998	136.75
116.026901	194.0
117.036797	8461.75
119.016197	93.5
123.008797	521.0
124.017502	109.5
128.027206	240.5
129.041	11503.5
131.014297	183.75
132.0233	5052.5
133.030304	6964.0
135.009598	196.5
136.988693	159.75
141.035202	1096.0
144.022705	213.25
145.026901	10943.75
146.039597	129.75
156.021698	357.0
157.048904	7146.0
159.009598	862.75
161.025101	9164.25
166.866806	198.25
169.0298	887.5
172.0168	145.0
173.025604	15157.25
174.034103	416.75
176.007904	120.25
184.016296	158.0
185.023102	7390.0
200.010696	359.0
201.020096	9465.5
213.020493	2202.25
229.014801	59158.0
229.170502	1024.75
229.2845	126.0
241.014893	288.75
257.012604	4683.0
258.0159	278.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429130
PEPMASS=259.025
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=1,3,5,8-tetrahydroxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=OC1=C2C(OC3=C(O)C=CC(O)=C3C2=O)=CC(O)=C1
INCHI=InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
INCHIAUX=MPXAWSABMVLIBU-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429130
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429130
SCANS=1
51.025299	138.166702
65.003601	224.833298
65.039902	192.5
77.040199	224.5
79.019402	346.0
83.931099	132.833298
89.040802	627.666687
91.019798	573.5
93.035599	366.166687
95.014297	3127.5
99.926903	536.666687
101.040901	554.0
103.020599	210.833298
103.055901	270.333313
105.034897	519.833313
107.014702	2946.5
109.0299	608.166687
113.040199	477.666687
115.055496	637.833313
116.027298	123.833298
117.035103	2066.0
119.014603	717.5
119.0504	149.5
121.030296	565.0
123.0093	1043.166748
129.035599	1533.333252
132.0224	419.666687
133.029999	1977.333252
141.035202	943.833313
143.050598	648.666687
144.020996	157.833298
145.030197	1967.5
147.007904	1294.5
149.995407	338.0
151.004196	1583.5
157.029602	337.166687
158.037598	1425.166748
160.016495	281.333313
161.025101	1725.333252
169.030106	1011.666687
173.025299	697.833313
185.024796	1144.333252
189.020004	545.666687
197.024704	201.333298
198.0327	172.166702
203.034805	195.833298
213.019897	706.833313
217.014404	182.833298
229.013306	160.0
230.0215	213.666702
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429131
PEPMASS=273.042
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=1,5,6-dihydroxy-3-methoxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=OC1=C2C(OC3=C(O)C(O)=CC=C3C2=O)=CC(OC)=C1
INCHI=InChI=1S/C14H10O6/c1-19-6-4-9(16)11-10(5-6)20-14-7(12(11)17)2-3-8(15)13(14)18/h2-5,15-16,18H,1H3
INCHIAUX=JHOYIGDPCIBYKV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429131
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429131
SCANS=1
65.003601	839.5
77.041603	100.5
89.039902	229.0
91.019302	526.0
93.035698	253.75
95.014297	898.5
100.032997	155.0
101.040398	1006.25
103.020401	190.5
104.027603	722.5
108.022102	773.25
113.039497	525.0
115.017998	136.75
116.026901	194.0
117.036797	8461.75
119.016197	93.5
123.008797	521.0
124.017502	109.5
128.027206	240.5
129.041	11503.5
131.014297	183.75
132.0233	5052.5
133.030304	6964.0
135.009598	196.5
136.988693	159.75
141.035202	1096.0
144.022705	213.25
145.026901	10943.75
146.039597	129.75
156.021698	357.0
157.048904	7146.0
159.009598	862.75
161.025101	9164.25
166.866806	198.25
169.0298	887.5
172.0168	145.0
173.025604	15157.25
174.034103	416.75
176.007904	120.25
184.016296	158.0
185.023102	7390.0
200.010696	359.0
201.020096	9465.5
213.020493	2202.25
229.014801	59158.0
229.170502	1024.75
229.2845	126.0
241.014893	288.75
257.012604	4683.0
258.0159	278.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429132
PEPMASS=287.06
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=1,5-dihydroxy-2,3-dimethoxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=COC1=C(OC)C=C(C2=C1O)OC3=C(O)C=CC=C3C2=O
INCHI=InChI=1S/C15H12O6/c1-19-10-6-9-11(13(18)15(10)20-2)12(17)7-4-3-5-8(16)14(7)21-9/h3-6,16,18H,1-2H3
INCHIAUX=APPOIVIWJAIHBI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429132
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429132
SCANS=1
65.003403	3638.75
89.040497	10285.75
93.035202	1498.0
95.014	1546.25
101.040199	15366.5
102.041702	1723.75
105.035301	1375.25
108.022202	522.25
109.029999	5338.25
113.040703	6707.75
115.019501	1273.5
117.035202	38640.75
119.014503	1548.25
123.008797	6980.75
127.018997	683.25
129.035797	40850.25
131.016098	1261.25
133.030197	6334.75
136.988907	1243.25
141.035095	22242.75
143.0504	926.25
145.030502	23876.75
151.002304	965.0
155.013901	887.5
155.051697	754.5
157.030106	69488.5
157.159302	1275.75
159.009399	2297.5
161.024902	3990.75
169.030304	3394.75
171.045502	3087.75
173.025101	26345.25
181.028503	1088.75
183.009506	3176.0
185.024994	82194.25
185.165298	1857.5
185.267303	441.0
186.028198	1280.5
187.004593	4175.0
188.054398	490.25
197.025696	5472.25
199.039993	3389.75
201.019897	19773.0
213.019608	39855.75
213.172195	530.75
225.018799	2257.75
229.014404	20746.25
243.029694	4043.75
257.007294	1700.75
271.025513	1694.25
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429133
PEPMASS=257.048
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=1,5-dihydroxy-3-methoxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(OC)C=C2OC3=C(O)C=CC=C31
INCHI=InChI=1S/C14H10O5/c1-18-7-5-10(16)12-11(6-7)19-14-8(13(12)17)3-2-4-9(14)15/h2-6,15-16H,1H3
INCHIAUX=IQIGECASJMDDMD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429133
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429133
SCANS=1
63.030201	201.0
65.003403	217.0
78.012398	60.0
79.255997	61.0
88.033798	178.0
91.021797	443.0
95.014397	54.0
99.925903	505.0
101.040901	491.0
104.026901	674.0
107.015297	404.0
112.0326	144.0
113.041	1325.0
115.021301	226.0
116.028	2774.0
116.927902	120.0
126.049004	122.0
129.035797	820.0
130.043304	2946.0
131.0186	67.0
132.022797	1724.0
135.021896	279.0
140.034698	79.0
140.726105	62.0
141.035904	4899.0
143.015305	211.0
144.022293	4139.0
151.007004	99.0
154.044006	107.0
156.022003	93.0
157.029999	1361.0
158.038406	15201.0
159.008698	89.0
168.020599	108.0
169.029907	3837.0
171.013107	225.0
172.016998	2540.0
174.038101	130.0
184.020203	60.0
185.025299	13797.0
187.004196	492.0
188.039001	68.0
190.832306	64.0
197.025299	885.0
200.008301	64.0
201.023407	161.0
213.019806	4278.0
228.027206	66.0
241.015396	74.0
242.022797	1372.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429134
PEPMASS=287.057
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Negative
ORGANISM=XANTHONES-DB
NAME=1,6-dihydroxy-3,5-dimethoxyxanthone [M-H]-
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(OC)C=C2OC3=C(OC)C(O)=CC=C31
INCHI=InChI=1S/C15H12O6/c1-19-7-5-10(17)12-11(6-7)21-14-8(13(12)18)3-4-9(16)15(14)20-2/h3-6,16-17H,1-2H3
INCHIAUX=VKZMZDFCRUHZNI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429134
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429134
SCANS=1
63.024502	348.5
65.003601	196.5
77.040199	109.5
79.958801	109.0
89.0047	116.0
89.040298	148.5
91.020203	383.5
95.013901	641.5
99.928902	268.5
101.040703	1984.5
103.019699	621.0
105.036697	323.0
107.014702	439.5
113.0411	723.5
115.020401	173.5
117.035797	3078.5
119.015099	7128.5
123.010803	120.5
129.035904	6294.0
131.014496	1605.5
133.030502	3152.0
135.009903	797.0
141.035995	1012.5
143.014603	934.0
144.026093	169.0
145.030502	8245.0
147.009293	431.0
151.003601	141.5
157.030304	7327.5
159.009598	3820.5
161.024994	3751.0
163.004196	481.5
171.009705	202.0
172.016006	231.0
173.025696	9352.0
185.025299	4279.0
187.005005	562.0
199.038605	103.0
200.010498	510.0
201.020599	35600.0
201.166199	131.5
202.025299	3322.5
203.028198	389.0
213.020096	465.5
229.015396	84080.5
229.170593	1117.5
229.285904	146.5
241.014404	150.0
257.010315	8541.5
271.024292	161.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429135
PEPMASS=409.165
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=9-hydroxycalabaxanthone [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=C/C(C)=C\Cc1c2C(=O)c3c(O)c4C=CC(C)(C)Oc4cc3Oc2cc(O)c1OC
INCHI=InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3
INCHIAUX=HQWHKELJHUFLGD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429135
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429135
SCANS=1
227.070206	292.666687
239.070206	356.666687
241.048004	309.0
243.064301	607.0
251.067505	366.666687
253.047806	471.0
255.0634	690.666687
264.076904	1091.333252
265.050903	316.0
267.064087	1576.666748
268.033508	343.333313
268.068909	306.666687
269.043488	491.0
271.060089	1191.666748
275.066986	436.666687
277.049408	378.333313
277.084503	355.0
279.062714	610.0
279.100098	795.666687
281.042999	744.666687
281.080597	1474.333252
283.059906	1344.333252
291.066589	408.0
292.071686	3158.666748
293.043488	396.666687
295.060211	13342.666992
297.040314	698.333313
297.111206	757.333313
299.054688	1839.333252
305.079315	363.666687
307.095398	876.0
308.066101	348.333313
309.037689	426.333313
309.07431	4017.666748
310.045288	443.0
311.053802	1054.333252
319.06189	796.333313
320.0672	4339.0
323.055206	29366.0
325.106903	1035.666748
333.075714	587.0
333.112396	311.666687
335.0914	2506.666748
337.070099	6681.0
347.089508	726.333313
351.0867	1032.666748
353.101196	4024.0
361.107788	1006.666687
365.1008	892.0
379.11731	1129.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429136
PEPMASS=411.182
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=alpha-mangostin [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=C/C(C)=C\Cc1c(O)c2C(=O)c3c(cc(O)c(OC)c3C\C=C(/C)C)Oc2cc1O
INCHI=InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
INCHIAUX=GNRIZKKCNOBBMO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429136
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429136
SCANS=1
165.017807	2971.666748
171.043106	1171.333252
186.031296	855.333313
197.060104	1341.0
200.046997	2588.0
213.017899	1996.333252
213.054306	907.0
215.068802	3793.333252
225.054092	5201.666504
227.033997	1448.666748
228.041702	10835.666992
239.032898	2349.666748
241.048996	3364.333252
243.065094	15998.0
245.043793	1468.333252
248.083206	1610.0
251.069702	1343.0
253.048904	7141.666504
255.028793	3808.0
256.036804	29429.0
265.049286	3354.0
269.044006	3802.333252
271.060608	68405.664062
276.077087	892.0
277.085388	7160.666504
279.064911	5519.666504
281.044189	9224.0
281.078888	920.0
283.02359	2083.666748
283.058685	1211.0
284.03241	143782.671875
284.205109	2458.666748
289.048798	803.0
291.10141	1171.0
293.044586	16379.666992
294.066406	884.0
294.087402	5050.333496
297.0401	49744.667969
297.077606	2173.333252
299.055389	84955.664062
304.07251	2542.0
305.079895	6059.333496
307.060699	38958.332031
311.055389	19939.333984
319.095398	3956.666748
321.076294	3041.666748
322.084106	20893.0
325.071411	27873.333984
337.106903	13867.666992
355.117706	8368.333008
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429138
PEPMASS=429.192
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=cratoxylone [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CCC(C)(C)O)O)O)OC)C
INCHI=InChI=1S/C24H28O7/c1-12(2)6-7-14-19-17(11-16(26)23(14)30-5)31-18-10-15(25)13(8-9-24(3,4)29)21(27)20(18)22(19)28/h6,10-11,25-27,29H,7-9H2,1-5H3
INCHIAUX=JSXIWUDODLMCGG-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429138
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429138
SCANS=1
165.017395	1704.5
200.046906	1115.5
213.019806	1179.0
214.024597	828.5
215.069397	1603.5
217.049896	914.5
220.085693	729.5
225.054703	2681.5
227.033295	807.5
228.041504	4509.0
239.0336	1323.5
241.049393	1461.0
243.065201	7982.0
245.044205	1001.0
249.090302	807.5
251.069595	900.0
253.048599	1061.0
254.056702	3023.0
255.029404	1953.0
256.036987	15722.5
265.049408	2249.5
269.044006	1828.0
271.060791	56618.0
276.079712	1142.5
277.085907	6373.5
279.065186	3536.0
281.044586	7702.5
283.022491	1211.5
284.032501	103074.5
284.205505	964.5
287.066986	663.5
289.049408	1450.0
291.101807	1270.5
293.045013	13621.5
294.087799	3423.0
297.040192	35646.0
297.078491	1834.0
299.055695	65265.0
304.073212	2488.5
305.080688	5646.5
307.060608	31899.5
309.110413	626.5
311.055298	13772.5
319.096191	4101.0
321.075104	2175.5
322.083801	20063.5
325.071411	20438.5
337.107513	15405.0
338.111206	3862.5
355.118195	8075.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429139
PEPMASS=429.191
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=garcinone D [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CCC(C)(C)O)O)C
INCHI=InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3
INCHIAUX=TYALNCRUIKOKGP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429139
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429139
SCANS=1
165.004593	853.5
186.030594	372.0
200.051407	778.0
215.070908	827.25
217.052902	462.25
225.056702	1345.75
227.030304	374.0
228.040298	2447.0
239.037903	786.5
241.044403	567.75
243.064499	4271.75
245.040497	455.5
249.090302	403.5
251.070801	427.5
253.051697	568.5
254.054199	1704.5
255.027405	924.0
256.036285	7652.75
265.049194	1046.75
269.045898	808.5
270.048889	434.0
271.059113	25255.5
277.084991	3008.75
279.064392	1762.5
281.043091	1752.25
282.050201	1943.75
283.01709	578.25
284.030396	48232.0
284.205109	386.5
287.066193	422.5
291.105286	679.5
293.044312	5958.75
293.082214	694.5
294.088104	1647.5
295.093811	475.5
296.065704	758.0
297.038513	17355.75
297.076813	660.0
299.054291	34382.0
304.070801	1312.0
305.079498	2518.25
307.059113	15629.25
311.054993	6986.0
319.09729	2072.75
321.073792	1129.0
322.082794	9291.5
325.070801	9929.0
337.104187	6683.0
339.085388	759.25
355.117493	4097.75
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429140
PEPMASS=479.243
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=isocowanin [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(O)C(=C2OC3=CC(O)=C(OC)C(=C13)CC=C(C)CCC=C(C)C)CC=C(C)C
INCHI=InChI=1S/C29H34O6/c1-16(2)8-7-9-18(5)11-13-20-25-24(15-23(32)28(20)34-6)35-29-19(12-10-17(3)4)21(30)14-22(31)26(29)27(25)33/h8,10-11,14-15,30-32H,7,9,12-13H2,1-6H3
INCHIAUX=SOCAUSWRRPKJMP-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429140
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429140
SCANS=1
197.053894	716.75
200.048203	615.25
213.053802	575.75
215.072601	1461.75
225.053604	1322.0
228.042999	1958.25
229.048904	1759.0
239.033203	560.25
242.065399	775.5
243.057602	3860.75
253.048599	2411.75
255.023193	624.5
256.036713	12230.5
263.068512	889.5
269.043488	3067.75
270.051392	1645.0
271.058289	12416.75
272.030396	807.75
277.096405	767.5
279.063995	701.5
281.043915	1864.25
284.02829	10690.75
285.074188	849.0
293.041412	810.75
293.080505	847.75
295.059509	1066.5
297.035614	5462.75
299.053711	120932.75
299.232697	2732.25
307.057312	2509.0
311.053589	2339.75
313.071289	7353.25
321.073486	5049.5
323.090393	571.5
325.071106	2190.0
327.085999	4795.25
334.083893	1128.75
335.091187	1648.75
337.113312	814.5
339.08609	1030.75
340.089386	571.75
341.097687	3619.75
349.106689	1034.25
353.101501	2233.0
355.117096	4071.5
363.122894	596.75
365.102386	550.25
367.116791	2041.25
405.169098	837.75
423.185089	963.25
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429141
PEPMASS=495.238
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=isocowanol [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C(=C3O2)CC=C(C)CO)O)O)O)OC)C)C
INCHI=InChI=1S/C29H34O7/c1-16(2)7-6-8-17(3)9-12-20-25-24(14-23(33)28(20)35-5)36-29-19(11-10-18(4)15-30)21(31)13-22(32)26(29)27(25)34/h7,9-10,13-14,30-33H,6,8,11-12,15H2,1-5H3
INCHIAUX=OCKLFXKYZPPEFU-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429141
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429141
SCANS=1
179.031906	221.5
193.046997	151.0
201.053604	355.0
203.030594	173.5
209.057205	170.5
225.090698	174.5
240.074203	156.0
251.069199	153.0
253.085693	492.0
255.064697	169.0
264.075287	262.5
268.071411	373.0
271.057007	325.0
277.049194	199.5
279.10141	195.5
281.077087	426.0
282.087799	150.0
283.058014	154.5
283.092499	580.5
285.037994	198.0
289.087585	150.0
292.072296	990.0
295.059601	1517.5
297.039307	152.0
297.070404	274.0
297.110199	431.5
299.054199	576.0
305.076691	540.5
307.094513	538.5
308.071106	159.5
309.075104	895.0
317.081787	169.5
320.066589	1406.0
323.054291	8658.0
325.103912	1088.5
333.075012	378.5
335.089691	1433.0
337.07019	2932.0
347.091888	576.5
351.085602	1338.5
353.100098	4554.0
359.09259	165.0
361.108002	497.5
365.101013	591.5
367.11499	333.5
375.122711	402.0
377.100708	410.0
379.109314	194.0
379.1297	190.5
391.115692	350.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429142
PEPMASS=429.191
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=parvixanthone G [M+H]+
PI=Manon Meunier
DATACOLLECTOR=Manon Meunier
SMILES=CC(=CCCC(C)(CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)O)C
INCHI=InChI=1S/C24H28O7/c1-13(2)6-5-8-24(3,29)9-7-15-20-19(12-17(27)23(15)30-4)31-18-11-14(25)10-16(26)21(18)22(20)28/h6,10-12,25-27,29H,5,7-9H2,1-4H3
INCHIAUX=BPANZWARHZNCBM-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429142
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429142
SCANS=1
69.068802	87.0
91.055099	136.0
93.068497	109.0
105.071198	169.0
107.077599	144.0
109.098198	158.0
129.080795	121.0
145.103302	106.0
151.037903	169.0
153.016602	176.0
160.015503	331.0
185.059601	97.0
187.037201	127.0
191.072403	117.0
202.025406	280.0
203.068604	161.0
213.053207	546.0
216.042404	875.0
229.046402	334.0
231.065308	1348.0
232.0672	138.0
241.0495	452.0
242.070007	107.0
242.981506	153.0
244.035904	1188.0
251.081497	205.0
253.062607	347.0
256.033691	97.0
257.042786	390.0
258.051514	304.0
259.058105	2037.0
266.059113	296.0
269.042511	638.0
271.022797	540.0
272.030914	5968.0
280.077209	233.0
281.016205	193.0
283.055389	138.0
285.039215	1904.0
287.052612	2794.0
294.048004	140.0
295.057892	687.0
297.038208	123.0
299.054504	556.0
308.065613	109.0
309.05899	486.0
311.055603	319.0
315.088715	125.0
322.086212	115.0
325.071991	122.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429143
PEPMASS=303.086
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=5-hydroxy-1,2,3-trimethoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(OC)C(OC)=C(OC)C=C2OC3=C(O)C=CC=C31
INCHI=InChI=1S/C16H14O6/c1-19-11-7-10-12(16(21-3)15(11)20-2)13(18)8-5-4-6-9(17)14(8)22-10/h4-7,17H,1-3H3
INCHIAUX=BQFIZOHBSDOURY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429143
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429143
SCANS=1
108.021202	638.0
115.053299	887.0
118.040703	198.0
121.026398	532.0
123.0093	170.0
127.053902	203.0
128.062195	804.0
129.078796	282.0
131.054901	659.0
134.036407	608.0
136.015305	5279.0
139.052094	647.0
143.047806	478.0
146.035507	253.0
147.043106	212.0
155.048492	244.0
157.065201	285.0
158.035202	239.0
161.058899	294.0
168.055099	176.0
171.044205	2823.0
173.021805	339.0
174.031006	3747.0
184.052505	197.0
185.058701	749.0
187.038193	866.0
189.054199	958.0
197.060394	337.0
199.039902	1156.0
202.025299	7181.0
213.053207	2458.0
215.033707	618.0
216.040497	1961.0
225.052795	203.0
227.033401	1825.0
228.038101	852.0
231.064301	300.0
241.048401	2424.0
242.020706	185.0
243.025803	169.0
244.035095	509.0
245.043793	12568.0
257.041901	334.0
259.058502	865.0
269.042114	274.0
270.015198	223.0
271.0224	941.0
273.036987	529.0
285.040314	940.0
286.048706	191.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429144
PEPMASS=275.056
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=1,3,5-trihydroxy-2-methoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=COC1=C(O)C=C(C2=C1O)OC3=C(O)C=CC=C3C2=O
INCHI=InChI=1S/C14H10O6/c1-19-14-8(16)5-9-10(12(14)18)11(17)6-3-2-4-7(15)13(6)20-9/h2-5,15-16,18H,1H3
INCHIAUX=JAOZFCHZESUBKS-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429144
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429144
SCANS=1
65.034897	235.0
68.995903	191.0
76.0298	412.0
80.027298	210.0
89.0392	128.0
91.052902	539.0
92.024803	2175.0
92.996902	149.0
94.044601	161.0
101.038597	172.0
102.046097	3581.0
104.023499	139.0
105.0326	279.0
107.050201	143.0
108.019501	447.0
109.027	157.0
112.028702	151.0
113.040398	204.0
115.054901	227.0
118.041496	533.0
120.019997	2184.0
121.027603	4567.0
127.057098	155.0
129.032394	265.0
130.040405	3631.0
131.047195	936.0
134.035904	193.0
136.015198	3263.0
139.001999	178.0
140.026703	537.0
145.028595	427.0
147.043396	1395.0
158.035507	2544.0
161.023804	1727.0
162.036606	464.0
168.024902	265.0
173.022903	360.0
175.0392	256.0
176.043503	318.0
186.029694	753.0
187.038101	1148.0
189.017593	751.0
203.033401	1004.0
213.0177	138.0
214.026901	781.0
215.033493	2823.0
216.040298	383.0
229.019394	189.0
231.028503	4595.0
260.029785	531.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429145
PEPMASS=275.055
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=1,5,6-dihydroxy-3-methoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=OC1=C2C(OC3=C(O)C(O)=CC=C3C2=O)=CC(OC)=C1
INCHI=InChI=1S/C14H10O6/c1-19-6-4-9(16)11-10(5-6)20-14-7(12(11)17)2-3-8(15)13(14)18/h2-5,15-16,18H,1H3
INCHIAUX=JHOYIGDPCIBYKV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429145
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429145
SCANS=1
77.044601	1220.5
80.024597	1049.0
89.037804	547.0
91.052498	1601.833252
93.032303	552.666687
95.012398	675.666687
102.049202	10276.833008
106.004501	635.0
107.011597	2974.333252
108.020203	8314.333008
110.035599	2277.333252
113.036903	556.333313
115.053001	9518.166992
116.025101	2461.0
116.057701	748.666687
119.048599	1478.5
121.027	2198.333252
123.007004	4335.166504
125.036201	846.5
127.055099	2328.0
129.029694	676.333313
130.039902	7459.833496
134.037094	1147.333252
136.015503	1335.666748
137.021896	1902.333252
144.020401	3466.666748
145.064407	1430.666748
147.042297	3070.833252
149.022797	535.333313
152.008804	13826.833008
155.047699	946.333313
157.025604	620.5
158.037506	8314.666992
161.0224	1698.0
167.033401	2286.333252
171.034805	2552.5
173.063599	1680.333252
175.042404	1042.833252
176.049393	3802.166748
177.017899	804.5
185.022705	721.166687
186.028793	23579.166016
201.046997	3883.833252
203.034805	6406.5
205.012802	580.666687
214.0271	12226.5
215.031204	23126.0
219.027893	1153.666748
229.049194	1483.666748
231.028702	56179.667969
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429146
PEPMASS=289.071
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=1,5-dihydroxy-2,3-dimethoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=COC1=C(OC)C=C(C2=C1O)OC3=C(O)C=CC=C3C2=O
INCHI=InChI=1S/C15H12O6/c1-19-10-6-9-11(13(18)15(10)20-2)12(17)7-4-3-5-8(16)14(7)21-9/h3-6,16,18H,1-2H3
INCHIAUX=APPOIVIWJAIHBI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429146
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429146
SCANS=1
63.0219	3636.75
79.016502	1089.25
89.036697	1987.5
92.025803	71529.0
92.1241	1971.5
95.010101	881.0
102.0467	1892.5
105.035896	1811.0
107.012299	7812.0
114.044899	6059.75
115.053596	76883.25
118.041397	12576.25
120.019203	1989.75
121.0261	6995.25
123.007599	5051.0
126.045197	963.0
127.053299	4211.25
130.039093	1408.5
131.047699	5640.25
132.052597	1797.75
136.015701	10398.0
139.001907	1064.5
142.040497	9456.25
144.055893	35887.0
145.027802	1842.25
145.059799	9279.0
151.002106	3072.0
155.046097	3555.5
159.043793	2266.75
161.017303	1884.75
170.033295	3965.5
171.043594	308614.0
171.112305	1574.5
171.178101	10011.75
171.276199	5060.75
174.030396	2012.25
182.035202	1149.25
187.0383	1774.75
197.022903	1588.75
198.029999	11417.0
199.038101	91809.0
203.033295	2312.5
215.0345	6691.0
226.025497	11889.0
227.0336	6713.25
228.040802	46821.75
231.0289	30098.0
244.036606	1568.25
245.042892	7007.0
255.026199	2178.5
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429147
PEPMASS=259.061
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=1,5-dihydroxy-3-methoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(OC)C=C2OC3=C(O)C=CC=C31
INCHI=InChI=1S/C14H10O5/c1-18-7-5-10(16)12-11(6-7)19-14-8(13(12)17)3-2-4-9(14)15/h2-6,15-16H,1H3
INCHIAUX=IQIGECASJMDDMD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429147
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429147
SCANS=1
65.037903	997.0
77.037201	2494.0
80.025002	1594.0
88.030197	617.0
89.036797	1260.0
91.0532	1812.0
92.025902	2820.0
95.012199	1980.0
101.0383	823.0
103.053703	2707.0
105.032501	1577.0
107.011803	4006.0
108.020203	10638.0
110.034798	584.0
113.037697	1732.0
114.045898	9413.0
115.053703	17047.0
117.068497	849.0
118.040802	1489.0
120.020599	747.0
121.027199	3167.0
123.007004	15742.0
126.046402	1353.0
127.053703	19679.0
131.048294	8549.0
134.034805	1905.0
136.014999	12815.0
139.052704	763.0
142.041	12720.0
144.056595	1092.0
145.028305	669.0
146.035004	764.0
147.043198	1208.0
155.048203	4720.0
156.053802	1075.0
159.043594	1684.0
160.051193	5305.0
161.021896	2418.0
169.027802	576.0
170.035904	15519.0
173.022202	1260.0
174.028305	600.0
184.0513	601.0
187.038498	18319.0
189.019196	641.0
198.031006	10786.0
199.038498	25021.0
203.033203	1809.0
215.033997	69999.0
226.025406	582.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429148
PEPMASS=289.071
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=1,6-dihydroxy-3,5-dimethoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(OC)C=C2OC3=C(OC)C(O)=CC=C31
INCHI=InChI=1S/C15H12O6/c1-19-7-5-10(17)12-11(6-7)21-14-8(13(12)18)3-4-9(16)15(14)20-2/h3-6,16-17H,1-2H3
INCHIAUX=VKZMZDFCRUHZNI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429148
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429148
SCANS=1
91.053398	1224.5
95.012001	1546.0
103.053398	993.5
107.011902	1478.5
109.027901	979.0
114.045502	1205.0
115.053497	3969.0
118.041	840.5
119.048401	3038.0
122.035896	2250.5
123.006897	6951.0
129.032593	3007.5
131.048203	2455.0
133.027695	770.0
133.063904	1337.5
135.043198	705.5
137.023697	828.5
142.040695	3692.0
144.018097	741.5
147.043701	11018.5
150.030106	2027.5
151.001999	2553.0
151.038193	4455.5
157.027298	4027.0
160.050797	1294.0
161.0233	1008.0
161.058701	6576.5
167.033401	2292.5
170.0354	2004.5
171.043701	10729.5
174.030594	2037.0
175.038895	12539.0
185.0224	4521.0
186.029404	3217.0
189.017303	2261.5
189.053802	4401.5
198.030197	832.0
199.037994	5281.0
202.026093	8095.0
203.033707	19317.0
213.017395	2301.0
215.032898	1379.5
216.040405	1717.0
217.050095	76348.5
227.033997	2946.0
231.0289	17430.0
244.036194	803.0
245.044296	12393.5
246.051895	16880.0
274.046387	4143.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00011429149
PEPMASS=303.087
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=XANTHONES-DB
NAME=1-hydroxy-3,5,6-trimethoxyxanthone [M+H]+
PI=Severine Derbre
DATACOLLECTOR=Manon Meunier
SMILES=O=C1C2=C(O)C=C(OC)C=C2OC3=C(OC)C(OC)=CC=C31
INCHI=InChI=1S/C16H14O6/c1-19-8-6-10(17)13-12(7-8)22-15-9(14(13)18)4-5-11(20-2)16(15)21-3/h4-7,17H,1-3H3
INCHIAUX=MNLGBRDSLUAKRO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=1
SPECTRUMID=CCMSLIB00011429149
USI=mzspec:GNPS:XANTHONES-DB:accession:CCMSLIB00011429149
SCANS=1
102.046303	1792.800049
107.015503	2602.0
115.056702	9864.200195
116.0597	2260.199951
121.030197	2110.800049
123.012703	2324.199951
127.051498	2985.600098
128.063293	14770.0
131.048294	2329.399902
136.015503	1963.800049
137.0233	1830.199951
139.055496	3262.399902
143.0513	4162.200195
144.056	2709.0
155.047897	6377.399902
156.056	5448.799805
160.051193	5536.399902
161.022995	2554.800049
165.014694	3145.199951
170.036499	2723.0
171.042603	23167.800781
175.072205	2568.600098
183.043503	3657.600098
184.053299	7613.200195
185.059799	10950.599609
187.029999	16791.400391
188.046402	11263.400391
198.028503	4087.0
199.039795	32066.199219
200.045502	16258.799805
202.025497	4121.799805
203.0327	3172.0
203.068497	5277.600098
212.047501	2942.399902
213.054398	33852.199219
215.030396	9633.0
216.042007	96980.796875
227.036102	22170.0
229.052597	6406.399902
230.020996	1678.0
230.058304	10908.200195
231.064697	16680.400391
241.048203	11351.599609
242.057098	22655.599609
244.036407	32697.0
257.044586	2159.600098
259.059509	78518.203125
271.059814	3566.0
285.040192	22027.800781
287.054504	18326.599609
END IONS