MassBank Record: MSBNK-Waters-WA002182
ACCESSION: MSBNK-Waters-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: 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 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
//