MassBank Record: MSBNK-Waters-WA002327
ACCESSION: MSBNK-Waters-WA002327
RECORD_TITLE: Telmisartan; LC-ESI-Q; MS; POS; 90 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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004j-0292520000-b1213fcd37d6e12c8c69
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
115 27 27
128 12 12
133 20 20
139 12 12
152 39 39
153 20 20
155 24 24
164 12 12
165 74 74
166 20 20
167 12 12
183 20 20
193 255 255
194 39 39
211 212 212
212 31 31
261 39 39
262 20 20
275 51 51
276 999 999
277 192 192
278 20 20
289 165 165
290 39 39
303 90 90
304 24 24
305 243 243
306 55 55
317 43 43
467 35 35
468 16 16
497 752 752
498 278 278
499 55 55
515 282 282
516 110 110
517 20 20
591 12 12
//