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
//