MassBank Record: MSBNK-Waters-WA002032
ACCESSION: MSBNK-Waters-WA002032
RECORD_TITLE: Quinupramine; LC-ESI-Q; MS; POS; 75 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$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-08fr-0970000000-d7ec75881451328812e9
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
108 55 55
110 999 999
111 94 94
112 12 12
117 12 12
118 16 16
125 31 31
167 20 20
179 12 12
180 35 35
181 16 16
182 12 12
183 16 16
193 266 266
194 121 121
195 102 102
196 59 59
205 12 12
206 78 78
208 752 752
209 98 98
210 24 24
218 16 16
219 24 24
220 157 157
221 24 24
222 27 27
232 98 98
233 20 20
234 24 24
246 27 27
247 12 12
248 16 16
260 35 35
262 27 27
276 12 12
288 39 39
305 129 129
306 27 27
//