MassBank Record: MSBNK-Waters-WA002101
ACCESSION: MSBNK-Waters-WA002101
RECORD_TITLE: Levomepromazine (oxide); LC-ESI-Q; MS; POS; 45 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$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0ufr-0519000000-9e9e72b7465fe29411ac
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
100 999 999
101 55 55
228 39 39
229 47 47
242 106 106
243 16 16
283 16 16
284 55 55
300 90 90
301 16 16
329 588 588
330 141 141
331 43 43
345 176 176
346 31 31
347 12 12
361 392 392
362 74 74
363 24 24
//