ACCESSION: MSBNK-Waters-WA002031
RECORD_TITLE: Quinupramine; LC-ESI-Q; MS; POS; 90 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 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-052f-0950000000-cdaae00a474984e06472
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  105 20 20
  106 16 16
  108 59 59
  110 548 548
  111 55 55
  115 16 16
  117 20 20
  118 55 55
  123 12 12
  125 16 16
  128 12 12
  130 16 16
  152 12 12
  153 12 12
  165 31 31
  166 27 27
  167 78 78
  168 20 20
  178 27 27
  179 43 43
  180 161 161
  181 47 47
  182 20 20
  183 16 16
  191 20 20
  192 35 35
  193 999 999
  194 384 384
  195 165 165
  196 63 63
  204 47 47
  205 43 43
  206 184 184
  207 27 27
  208 846 846
  209 114 114
  210 16 16
  217 20 20
  218 55 55
  219 43 43
  220 168 168
  221 27 27
  222 20 20
  230 20 20
  231 16 16
  232 102 102
  233 27 27
  234 24 24
  244 20 20
  245 12 12
  246 35 35
  247 12 12
  248 16 16
  258 16 16
  260 24 24
  262 16 16
  305 47 47
//