MassBank Record: WA002622



 Teniposide; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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: Copyright 2007-2011 Nihon Waters K.K.

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$LINK: CAS 29767-20-2
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 15.750 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE 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 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 //