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
//