MassBank Record: MSBNK-Waters-WA001865
ACCESSION: MSBNK-Waters-WA001865
RECORD_TITLE: Carpipramine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Carpipramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C28H38N4O
CH$EXACT_MASS: 446.30456
CH$SMILES: C(N1CCCN(c45)c(c(CCc4cccc5)3)cccc3)CC(N(C2)CCCC2)(CC1)C(N)=O
CH$IUPAC: InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)
CH$LINK: CAS
5942-95-0
CH$LINK: INCHIKEY
NWPJLRSCSQHPJV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40208149
AC$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$CHROMATOGRAPHY: RETENTION_TIME 15.580 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-0910100000-5936783dc0edf2f704ad
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
112 204 204
128 114 114
130 313 313
131 24 24
139 35 35
141 999 999
142 388 388
208 39 39
252 172 172
253 31 31
402 24 24
447 172 172
448 51 51
//
system version 2.2.6-SNAPSHOT