MassBank Record: WA002751



 Etoposide; LC-ESI-Q; MS; NEG; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002751
RECORD_TITLE: Etoposide; LC-ESI-Q; MS; NEG; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

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$LINK: CAS 33419-42-0
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.780 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001i-0300029000-6f36371c9ff9e5763db5 PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 103 47 47 104 16 16 108 12 12 113 114 114 116 12 12 121 12 12 128 12 12 129 39 39 131 20 20 138 74 74 139 20 20 145 16 16 147 27 27 157 27 27 159 16 16 170 12 12 173 12 12 177 12 12 181 16 16 183 59 59 187 47 47 195 16 16 197 20 20 201 35 35 202 24 24 205 27 27 216 12 12 239 12 12 286 12 12 381 94 94 387 24 24 390 12 12 446 16 16 448 47 47 544 16 16 587 239 239 588 63 63 589 55 55 591 12 12 623 67 67 624 55 55 625 74 74 632 39 39 633 999 999 634 282 282 635 67 67 636 16 16 //