ACCESSION: MSBNK-Waters-WA002099
RECORD_TITLE: Levomepromazine (oxide); 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$NAME: Levomepromazine (oxide)
CH$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 75 V

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

PK$SPLASH: splash10-004i-0190000000-be8bf28b9fa497c91c9d
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  100 388 388
  101 27 27
  116 12 12
  136 12 12
  167 27 27
  185 24 24
  186 27 27
  195 16 16
  198 12 12
  199 74 74
  200 12 12
  209 35 35
  210 427 427
  211 47 47
  212 24 24
  214 67 67
  215 16 16
  224 12 12
  226 12 12
  227 125 125
  228 999 999
  229 392 392
  230 86 86
  231 16 16
  236 20 20
  237 12 12
  238 12 12
  240 12 12
  242 294 294
  243 47 47
  244 24 24
  245 12 12
  250 12 12
  251 24 24
  252 27 27
  253 31 31
  254 16 16
  255 16 16
  258 16 16
  267 12 12
  268 31 31
  269 20 20
  270 43 43
  274 12 12
  282 24 24
  283 106 106
  284 63 63
  285 16 16
  300 43 43
  361 24 24
//