MassBank Record: MSBNK-Waters-WA002745
ACCESSION: MSBNK-Waters-WA002745
RECORD_TITLE: Etoposide; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Etoposide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C29H32O13
CH$EXACT_MASS: 588.18429
CH$SMILES: c(C(c(c7)cc(OC)c(O)c7OC)4)(c5)c(cc(O6)c5OC6)C(C(C43[H])([H])COC(=O)3)OC(O1)C(C(O)C(O2)([H])C1(COC(C)2)[H])O
CH$IUPAC: InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
CH$LINK: CAS
33419-42-0
CH$LINK: INCHIKEY
VJJPUSNTGOMMGY-MRVIYFEKSA-N
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 13.780 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-002r-0920000000-cc78c4c30c86d7d1467d
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
100 12 12
115 396 396
116 27 27
117 35 35
127 184 184
128 94 94
129 114 114
130 12 12
131 12 12
141 39 39
143 106 106
145 27 27
155 82 82
168 12 12
171 31 31
173 121 121
181 16 16
185 999 999
186 82 82
187 16 16
189 20 20
199 86 86
201 16 16
227 24 24
229 317 317
230 43 43
239 51 51
247 20 20
262 12 12
263 12 12
267 20 20
277 12 12
283 20 20
284 12 12
299 12 12
305 12 12
307 12 12
337 16 16
611 71 71
612 24 24
627 47 47
628 16 16
//