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
//