ACCESSION: MSBNK-Waters-WA002626
RECORD_TITLE: Teniposide; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Teniposide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₂H₃₂O₁₃S
CH$EXACT_MASS: 656.15636
CH$SMILES: C(C([H])54)(c(c(C(OC(C8O)(OC([H])(C7([H])C(O)8)COC(O7)c(c6)scc6)[H])C4(COC5=O)[H])3)cc(c2c3)OCO2)c(c1)cc(OC)c(c1OC)O
CH$IUPAC: InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1
CH$LINK: CAS 29767-20-2
CH$LINK: INCHIKEY NRUKOCRGYNPUPR-QBPJDGROSA-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 15.750 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 15 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-00di-0000009000-2d32e6254a7a4d1c75cd
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  102 12 12
  107 12 12
  132 16 16
  145 16 16
  151 12 12
  158 24 24
  164 12 12
  187 16 16
  205 35 35
  206 12 12
  219 27 27
  229 12 12
  230 16 16
  344 20 20
  353 12 12
  360 12 12
  367 12 12
  383 51 51
  401 35 35
  402 12 12
  418 55 55
  419 16 16
  426 12 12
  439 35 35
  501 16 16
  503 12 12
  655 31 31
  656 12 12
  657 90 90
  658 39 39
  659 16 16
  674 999 999
  675 360 360
  676 82 82
  677 24 24
  678 16 16
  679 102 102
  680 27 27
  681 12 12
  695 82 82
  696 35 35
  697 12 12
  740 12 12
//