MassBank Record: MSBNK-Washington_State_Univ-BML00463
ACCESSION: MSBNK-Washington_State_Univ-BML00463
RECORD_TITLE: Camptothecin; LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
DATE: 2016.01.19 (Created 2012.10.26)
AUTHORS: Cuthbertson DJ, Johnson SR, Lange BM, Institute of Biological Chemistry, Washington State University
LICENSE: CC BY-SA
COMMENT: relative retention time with respect to 9-anthracene Carboxylic Acid is 1.029
CH$NAME: Camptothecin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H16N2O4
CH$EXACT_MASS: 348.111007
CH$SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O
CH$IUPAC: InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3
CH$LINK: CAS
7689-03-4
CH$LINK: CHEMSPIDER
2442
CH$LINK: PUBCHEM
CID:2538
CH$LINK: INCHIKEY
VSJKWCGYPAHWDS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30274373
AC$INSTRUMENT: Agilent 1200 RRLC; Agilent 6520 QTOF
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 ev
AC$MASS_SPECTROMETRY: COLLISION_GAS N2
AC$MASS_SPECTROMETRY: SCANNING m/z 100-1000
AC$CHROMATOGRAPHY: COLUMN_NAME Agilent C8 Cartridge Column 2.1X30mm 3.5 micron (guard); Agilent SB-Aq 2.1x50mm 1.8 micron (analytical)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 60 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT linear from 98A/2B at 0 min to 2A/98B at 13 min, hold 6 min at 2A/98B, reequilibration 98A/2B (5 min)
AC$CHROMATOGRAPHY: FLOW_RATE 0.6 ml/min
AC$CHROMATOGRAPHY: RETENTION_TIME 7.594
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid
MS$FOCUSED_ION: BASE_PEAK 288
MS$FOCUSED_ION: PRECURSOR_M/Z 347.1037
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00ks-0190000000-380c26ae8269aa62496c
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
167.0615 402 900
170.1092 27 60
180.0606 30 67
191.0658 23 52
193.0797 53 119
202.0567 23 52
203.065 113 253
204.0789 32 72
205.0688 21 47
217.0724 76 170
218.0858 67 150
219.0498 30 67
219.0923 211 473
219.1086 38 85
229.0774 131 293
230.0869 70 157
230.7411 37 83
231.0662 21 47
231.1162 33 74
232.0595 66 148
232.0823 63 141
232.1066 32 72
232.1279 23 52
233.0762 21 47
243.0929 216 484
244.0982 27 60
245.0683 312 699
245.1115 26 58
246.0687 48 108
246.0839 75 168
247.0825 189 423
247.1174 22 49
257.1044 54 121
258.9579 23 52
259.0511 63 141
259.0823 225 504
259.1167 40 90
260.0673 55 123
260.0906 131 293
261.1007 21 47
271.0943 33 74
273.0692 204 457
287.0788 211 473
288.0629 23 52
288.0894 446 999
288.1369 24 54
303.1089 145 325
//