ACCESSION: MSBNK-Waters-WA002622
RECORD_TITLE: Teniposide; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-002r-0892001000-040e5ead82b91a7334df
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  107 20 20
  108 12 12
  110 12 12
  113 204 204
  115 47 47
  117 20 20
  119 16 16
  123 24 24
  127 35 35
  128 12 12
  129 35 35
  135 12 12
  141 12 12
  143 35 35
  147 20 20
  155 20 20
  167 24 24
  171 12 12
  173 55 55
  181 31 31
  185 979 979
  186 98 98
  199 43 43
  201 12 12
  203 16 16
  211 12 12
  219 12 12
  221 12 12
  229 999 999
  230 78 78
  231 16 16
  239 118 118
  240 20 20
  247 27 27
  249 12 12
  257 12 12
  261 16 16
  267 114 114
  268 12 12
  270 16 16
  275 20 20
  277 31 31
  283 31 31
  284 20 20
  292 12 12
  293 12 12
  298 24 24
  299 137 137
  300 24 24
  305 43 43
  306 12 12
  307 51 51
  308 16 16
  309 16 16
  323 12 12
  324 16 16
  333 39 39
  334 20 20
  337 67 67
  338 16 16
  365 31 31
  366 12 12
  383 168 168
  384 35 35
  405 20 20
  503 12 12
  643 12 12
  657 16 16
  679 74 74
  680 24 24
  681 12 12
  695 47 47
  696 20 20
  697 12 12
//