MassBank Record: MSBNK-Waters-WA001317
ACCESSION: MSBNK-Waters-WA001317
RECORD_TITLE: Chlorpromazin; LC-ESI-Q; MS; POS; 15 V, 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Chlorpromazin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H19ClN2S
CH$EXACT_MASS: 318.09575
CH$SMILES: CN(C)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
CH$LINK: CAS
50-53-3
CH$LINK: INCHIKEY
ZPEIMTDSQAKGNT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0022808
AC$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$CHROMATOGRAPHY: RETENTION_TIME 15.200 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 15 V, 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-01b9-0009000000-4dc7efa512f101a06dff
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
285 86 86
286 16 16
301 400 400
302 71 71
303 27 27
315 12 12
317 98 98
319 999 999
320 168 168
321 396 396
322 74 74
323 16 16
324 8 8
329 8 8
333 98 98
334 20 20
335 20 20
342 24 24
351 31 31
353 12 12
//
system version 2.2.6-SNAPSHOT