MassBank Record: MSBNK-Waters-WA002183
ACCESSION: MSBNK-Waters-WA002183
RECORD_TITLE: Propericiazine (oxide); 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$NAME: Propericiazine (oxide)
CH$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$LINK: CAS
2622-26-6
CH$LINK: INCHIKEY
LUALIOATIOESLM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5045910
AC$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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0009000000-a41f110878efbae31d25
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
142 20 20
366 999 999
367 215 215
368 59 59
369 12 12
382 67 67
383 16 16
398 16 16
//