ACCESSION: MSBNK-Waters-WA002145
RECORD_TITLE: Trimetazidine; 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$NAME: Trimetazidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂N₂O₃
CH$EXACT_MASS: 266.16304
CH$SMILES: COc(c2)c(OC)c(OC)c(c2)CN(C1)CCNC1
CH$IUPAC: InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3
CH$LINK: CAS 5011-34-7
CH$LINK: INCHIKEY UHWVSEOVJBQKBE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2048531

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 2.600 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$SPLASH: splash10-05tr-0900000000-65032b3006d0a2d7cbf2
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  105 631 631
  106 447 447
  107 239 239
  108 188 188
  109 157 157
  110 24 24
  118 71 71
  119 94 94
  120 27 27
  121 862 862
  122 63 63
  123 357 357
  124 27 27
  132 16 16
  133 98 98
  135 760 760
  136 701 701
  137 137 137
  138 20 20
  139 47 47
  147 59 59
  148 16 16
  149 86 86
  151 662 662
  152 35 35
  165 404 404
  166 999 999
  167 86 86
  181 82 82
  267 47 47
//