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MassBank Record: WA002327

Telmisartan; LC-ESI-Q; MS; POS; 90 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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
//

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