MassBank Record: MSBNK-Waters-WA000431
ACCESSION: MSBNK-Waters-WA000431
RECORD_TITLE: Chlorpheniramine; 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$NAME: Chlorpheniramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H19ClN2
CH$EXACT_MASS: 274.12368
CH$SMILES: CN(C)CCC(c(c2)nccc2)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
CH$LINK: CAS
132-22-9
CH$LINK: INCHIKEY
SOYKEARSMXGVTM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0022804
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.900 min
AC$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: splash10-001i-0290000000-51789080c260d4d4ebc6
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
118 51 51
125 24 24
167 302 302
168 31 31
180 39 39
194 27 27
195 24 24
201 51 51
202 94 94
203 24 24
204 27 27
230 999 999
231 141 141
232 439 439
233 51 51
//
system version 2.2.6-SNAPSHOT