ACCESSION: MSBNK-Waters-WA002357
RECORD_TITLE: Valsartan; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Valsartan
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₂₉N₅O₃
CH$EXACT_MASS: 435.22704
CH$SMILES: CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O
CH$IUPAC: InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
CH$LINK: CAS 137862-53-4
CH$LINK: INCHIKEY ACWBQPMHZXGDFX-QFIPXVFZSA-N

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 16.900 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 60 V

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

PK$SPLASH: splash10-0a4i-0590100000-eadfd057847bddb84c06
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  100 27 27
  105 63 63
  121 20 20
  122 12 12
  142 35 35
  153 78 78
  167 16 16
  178 86 86
  179 35 35
  180 251 251
  181 43 43
  190 208 208
  191 51 51
  192 82 82
  193 20 20
  194 51 51
  195 16 16
  205 31 31
  206 141 141
  207 999 999
  208 176 176
  209 47 47
  210 27 27
  233 20 20
  235 290 290
  236 39 39
  291 157 157
  292 31 31
  300 43 43
  306 59 59
  328 20 20
  362 12 12
  418 12 12
  430 16 16
  458 168 168
  459 39 39
  474 114 114
  475 31 31
  476 12 12
  480 12 12
//