ACCESSION: MSBNK-Waters-WA002098
RECORD_TITLE: Levomepromazine (oxide); 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$NAME: Levomepromazine (oxide)
CH$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 90 V

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

PK$SPLASH: splash10-004i-0490000000-eb61a3709cfdafc15de7
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  100 71 71
  154 20 20
  166 31 31
  167 243 243
  168 27 27
  179 12 12
  180 16 16
  182 16 16
  183 12 12
  185 223 223
  186 161 161
  187 27 27
  193 16 16
  194 20 20
  195 74 74
  196 12 12
  198 71 71
  199 176 176
  200 31 31
  201 16 16
  208 24 24
  209 43 43
  210 443 443
  211 63 63
  212 24 24
  213 27 27
  214 102 102
  215 16 16
  216 12 12
  224 16 16
  226 16 16
  227 90 90
  228 999 999
  229 231 231
  230 67 67
  236 31 31
  237 16 16
  238 16 16
  239 12 12
  240 27 27
  242 102 102
  243 16 16
  244 12 12
  250 16 16
  251 20 20
  252 20 20
  253 24 24
  254 24 24
  255 16 16
  266 12 12
  268 43 43
  269 12 12
  270 12 12
  282 16 16
  283 27 27
  284 20 20
//