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MassBank Record: WA002331

Telmisartan; LC-ESI-Q; MS; NEG; 30 V

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

ACCESSION: WA002331
RECORD_TITLE: Telmisartan; LC-ESI-Q; MS; NEG; 30 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 NEGATIVE
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 30 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-03di-0000090000-e61e14e70d809d321e7b
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  513 999 999
  514 380 380
  515 74 74
  587 125 125
  588 43 43
  589 47 47
  590 20 20
  597 55 55
  598 35 35
//

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