MassBank Record: MSBNK-Waters-WA002821
ACCESSION: MSBNK-Waters-WA002821
RECORD_TITLE: Mono-isopropyl disopyramide; 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$NAME: Mono-isopropyl disopyramide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H23N3O
CH$EXACT_MASS: 297.18411
CH$SMILES: CC(C)NCCC(C(N)=O)(c(c2)cccc2)c(c1)nccc1
CH$IUPAC: InChI=1S/C18H23N3O/c1-14(2)20-13-11-18(17(19)22,15-8-4-3-5-9-15)16-10-6-7-12-21-16/h3-10,12,14,20H,11,13H2,1-2H3,(H2,19,22)
CH$LINK: CAS
38236-46-3
CH$LINK: INCHIKEY
UWNSWIXIVDMCHZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00959180
AC$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$CHROMATOGRAPHY: RETENTION_TIME 11.350 min
AC$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: splash10-0005-0910000000-5abc1fde28cf5b66cd0f
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
118 106 106
119 8 8
156 12 12
167 35 35
168 20 20
180 8 8
182 51 51
183 8 8
193 8 8
194 709 709
195 999 999
196 176 176
197 16 16
221 74 74
222 12 12
239 227 227
240 35 35
280 12 12
281 43 43
282 8 8
298 47 47
299 8 8
//