MassBank Record: MSBNK-Waters-WA002135
ACCESSION: MSBNK-Waters-WA002135
RECORD_TITLE: Acepromazine (oxide); 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$NAME: Acepromazine (oxide)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H22N2OS
CH$EXACT_MASS: 326.14528
CH$SMILES: CN(C)CCCN(c21)c(c3)c(ccc(C(C)=O)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3
CH$LINK: CAS
61-00-7
CH$LINK: INCHIKEY
NOSIYYJFMPDDSA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1022552
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.070 min
AC$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: splash10-0fkc-0090000000-f5a7eaf2391c93da2d73
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
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117 24 24
179 20 20
180 47 47
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255 114 114
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267 12 12
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298 12 12
327 43 43
343 20 20
//
system version 2.2.6-SNAPSHOT