MassBank Record: MSBNK-Waters-WA002798
ACCESSION: MSBNK-Waters-WA002798
RECORD_TITLE: Cyamemazine; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Cyamemazine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H21N3S
CH$EXACT_MASS: 323.14562
CH$SMILES: CN(C)CC(C)CN(c21)c(c3)c(ccc(C#N)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3
CH$LINK: CAS
3546-03-0
CH$LINK: INCHIKEY
SLFGIOIONGJGRT-UHFFFAOYSA-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 14.600 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00di-0009000000-e4313fc5f1e074eac9cd
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
100 137 137
101 8 8
237 8 8
279 8 8
324 999 999
325 227 227
326 78 78
327 8 8
340 59 59
341 12 12
356 63 63
//
system version 2.2.6-SNAPSHOT