MassBank Record: MSBNK-Waters-WA002033
ACCESSION: MSBNK-Waters-WA002033
RECORD_TITLE: Quinupramine; 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$NAME: Quinupramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H24N2
CH$EXACT_MASS: 304.19395
CH$SMILES: c(c5)cc(C3)c(c5)N(c(c4)c(ccc4)C3)C(C1)C(C2)CCN(C2)1
CH$IUPAC: InChI=1S/C21H24N2/c1-3-7-19-16(5-1)9-10-17-6-2-4-8-20(17)23(19)21-15-22-13-11-18(21)12-14-22/h1-8,18,21H,9-15H2
CH$LINK: CAS
31721-17-2
CH$LINK: INCHIKEY
JCBQCKFFSPGEDY-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 14.510 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$SPLASH: splash10-0bt9-0954000000-f928d97a584504463114
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
108 31 31
110 999 999
111 78 78
117 12 12
125 35 35
183 12 12
193 35 35
194 24 24
195 35 35
196 24 24
206 24 24
208 388 388
209 55 55
210 20 20
220 90 90
221 12 12
222 16 16
232 63 63
233 12 12
246 12 12
260 27 27
262 24 24
276 16 16
288 67 67
289 12 12
303 12 12
305 548 548
306 110 110
//