ACCESSION: MSBNK-Waters-WA002100
RECORD_TITLE: Levomepromazine (oxide); 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$NAME: Levomepromazine (oxide)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₄N₂O₂S
CH$EXACT_MASS: 344.15585
CH$SMILES: CN(C)CC(C)CN(c21)c(c3)c(ccc(OC)3)S(=O)c(cccc2)1
CH$IUPAC: InChI=1S/C19H24N2O2S/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)24(22)19-10-9-15(23-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-,24?/m0/s1
CH$LINK: CAS 21030-68-2
CH$LINK: INCHIKEY CUJAZGOWDHBZEI-LNYMIDHXSA-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 14.800 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$SPLASH: splash10-0udi-0692000000-6f30367474955fd92b38
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  100 999 999
  101 59 59
  116 16 16
  177 12 12
  210 106 106
  211 16 16
  227 27 27
  228 298 298
  229 251 251
  230 51 51
  231 12 12
  242 329 329
  243 39 39
  244 27 27
  251 20 20
  252 20 20
  253 16 16
  258 16 16
  267 16 16
  270 39 39
  274 16 16
  283 118 118
  284 82 82
  285 20 20
  300 121 121
  301 20 20
  314 12 12
  329 55 55
  330 39 39
  345 74 74
  346 12 12
  361 110 110
  362 20 20
//