MassBank Record: WA002624



 Teniposide; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002624
RECORD_TITLE: Teniposide; LC-ESI-Q; MS; POS; 45 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0059-0495002000-eb526729a994fd9e3fa4 PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 111 12 12 113 313 313 115 31 31 122 20 20 127 31 31 131 27 27 145 16 16 155 27 27 173 12 12 185 153 153 193 12 12 211 12 12 229 999 999 230 90 90 231 12 12 247 20 20 257 102 102 258 12 12 270 12 12 275 94 94 276 16 16 299 35 35 337 20 20 339 16 16 365 16 16 381 16 16 383 623 623 384 121 121 385 24 24 423 16 16 503 82 82 504 20 20 657 59 59 658 24 24 674 51 51 675 20 20 679 82 82 680 27 27 681 12 12 695 78 78 696 27 27 697 16 16 //