MassBank Record: MSBNK-Waters-WA002225
ACCESSION: MSBNK-Waters-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
//