MassBank Record: MSBNK-Waters-WA002100
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
//