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
//