MassBank Record: MSBNK-Waters-WA001378
ACCESSION: MSBNK-Waters-WA001378
RECORD_TITLE: p-Chlorodisopyramide; 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$NAME: p-Chlorodisopyramide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H28ClN3O
CH$EXACT_MASS: 373.19209
CH$SMILES: CC(C)N(C(C)C)CCC(C(N)=O)(c(c2)nccc2)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C21H28ClN3O/c1-15(2)25(16(3)4)14-12-21(20(23)26,19-7-5-6-13-24-19)17-8-10-18(22)11-9-17/h5-11,13,15-16H,12,14H2,1-4H3,(H2,23,26)
CH$LINK: INCHIKEY
JFFGSFYJCBZOQH-UHFFFAOYSA-N
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.650 min
AC$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: splash10-00b9-0090000000-f059db89dce3ef9a0e3c
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
102 12 12
114 74 74
118 16 16
192 16 16
193 24 24
194 12 12
195 16 16
228 317 317
229 999 999
230 266 266
231 329 329
232 51 51
237 27 27
238 8 8
255 27 27
256 8 8
257 8 8
273 862 862
274 145 145
275 290 290
276 47 47
374 8 8
//
system version 2.2.6-SNAPSHOT