MassBank Record: MSBNK-Waters-WA000429
ACCESSION: MSBNK-Waters-WA000429
RECORD_TITLE: Chlorpheniramine; LC-ESI-Q; MS; POS; 90 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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0910000000-50c81d33c8e6c0026c14
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
115 12 12
117 157 157
118 184 184
119 20 20
125 90 90
127 31 31
140 12 12
166 35 35
167 999 999
168 153 153
180 90 90
181 12 12
192 16 16
193 35 35
194 90 90
195 16 16
201 110 110
202 35 35
203 43 43
204 12 12
214 16 16
228 20 20
230 67 67
232 20 20
//
system version 2.2.6-SNAPSHOT