ACCESSION: MSBNK-Waters-WA002144
RECORD_TITLE: Trimetazidine; 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$NAME: Trimetazidine
CH$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 90 V

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

PK$SPLASH: splash10-0abi-0900000000-b9f5c2f68ac415368ea6
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  103 12 12
  105 999 999
  106 364 364
  107 325 325
  108 47 47
  109 114 114
  111 24 24
  118 294 294
  119 39 39
  121 854 854
  122 102 102
  123 317 317
  124 12 12
  131 12 12
  133 110 110
  135 733 733
  136 153 153
  137 74 74
  139 39 39
  147 43 43
  149 90 90
  151 262 262
  152 16 16
  163 16 16
  165 215 215
  166 145 145
  167 90 90
  168 16 16
  181 78 78
  267 82 82
//