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MassBank Record: WA002225

Levomepromazine; LC-ESI-Q; MS; POS; 75 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002225
RECORD_TITLE: Levomepromazine; 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$NAME: Levomepromazine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H24N2OS
CH$EXACT_MASS: 328.16093
CH$SMILES: CN(C)CC([H])(C)CN(c21)c(c3)c(ccc(OC)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1
CH$LINK: CAS 60-99-1
CH$LINK: INCHIKEY VRQVVMDWGGWHTJ-CQSZACIVSA-N
CH$LINK: COMPTOX DTXSID1023289

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$SPLASH: splash10-0imi-0390000000-43e61a80ee262493e736
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  100 709 709
  101 51 51
  136 12 12
  166 16 16
  167 82 82
  168 12 12
  180 12 12
  186 55 55
  193 12 12
  194 20 20
  195 47 47
  198 20 20
  199 219 219
  200 31 31
  208 35 35
  209 121 121
  210 999 999
  211 157 157
  212 39 39
  214 161 161
  215 24 24
  224 12 12
  226 16 16
  227 423 423
  228 86 86
  229 266 266
  230 35 35
  231 12 12
  236 39 39
  240 12 12
  242 431 431
  243 47 47
  244 24 24
  249 12 12
  250 20 20
  251 31 31
  252 12 12
  253 43 43
  254 20 20
  268 20 20
  269 16 16
  284 24 24
  329 20 20
//

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