MassBank Record: JP003425

Home Search Record Index Data Privacy Imprint

N-2,4-DINITROPHENYLPIPERIDINE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP003425
RECORD_TITLE: N-2,4-DINITROPHENYLPIPERIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: N-2,4-DINITROPHENYLPIPERIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H13N3O4
CH$EXACT_MASS: 251.090609999999998080966179259121417999267578125
CH$SMILES: [O-1][N+1](=O)c(c2)cc([N+1]([O-1])=O)c(c2)N(C1)CCCC1
CH$IUPAC: InChI=1S/C11H13N3O4/c15-13(16)9-4-5-10(11(8-9)14(17)18)12-6-2-1-3-7-12/h4-5,8H,1-3,6-7H2
CH$LINK: COMPTOX DTXSID90279965
CH$LINK: INCHIKEY MPGYUYKSTWTQFS-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0f89-2290000000-5dc72333dc6912aa5093
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  55 7.6 76
  67 15.4 154
  75 5.5 55
  76 9.4 94
  77 6.8 68
  103 7.3 73
  149 8.9 89
  158 0.62 6
  159 6 60
  175 6.8 68
  180 5.9 59
  189 1.21 12
  190 5.3 53
  203 11.6 116
  204 31.6 316
  234 99.99 999
  235 12.9 129
  251 18.8 188
  252 3.1 31
//