MassBank Record: WA002182



 Propericiazine (oxide); LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002182
RECORD_TITLE: Propericiazine (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: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Propericiazine (oxide) CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H23N3OS CH$EXACT_MASS: 365.15618 CH$SMILES: N#Cc(c4)cc(c(c4)1)N(CCCN(C3)CCC(O)C3)c(c2)c(ccc2)S1 CH$IUPAC: InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2 CH$LINK: CAS 2622-26-6
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.070 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014l-0609000000-df1f05b1fbe52fc98123 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 114 259 259 124 12 12 142 752 752 143 51 51 237 20 20 265 20 20 366 999 999 367 212 212 368 67 67 382 98 98 383 20 20 398 24 24 //