MassBank Record: MSBNK-Waters-WA002328
ACCESSION: MSBNK-Waters-WA002328
RECORD_TITLE: Telmisartan; 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$NAME: Telmisartan
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C33H30N4O2
CH$EXACT_MASS: 514.23688
CH$SMILES: n(c12)c(c(c4)cc(n(Cc(c5)ccc(c(c(C(O)=O)6)cccc6)c5)3)c(c(C)4)nc3CCC)n(C)c1cccc2
CH$IUPAC: InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
CH$LINK: CAS
144701-48-4
CH$LINK: INCHIKEY
RMMXLENWKUUMAY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8023636
AC$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$CHROMATOGRAPHY: RETENTION_TIME 16.600 min
AC$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: splash10-014j-0142890000-9f54545a43dc6b3168a2
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
115 20 20
128 16 16
152 31 31
153 16 16
165 67 67
166 16 16
193 98 98
194 16 16
211 196 196
212 31 31
261 12 12
275 16 16
276 309 309
277 67 67
289 43 43
303 24 24
305 333 333
306 74 74
317 20 20
497 925 925
498 360 360
499 67 67
515 999 999
516 376 376
517 74 74
518 12 12
553 20 20
591 24 24
//