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MassBank Record: JP003424

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

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

ACCESSION: JP003424
RECORD_TITLE: N-2,4-DINITROPHENYLPYRROLIDINE; 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$NAME: N-2,4-DINITROPHENYLPYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H11N3O4
CH$EXACT_MASS: 237.07496
CH$SMILES: [O-1][N+1](=O)c(c2)cc([N+1]([O-1])=O)c(c2)N(C1)CCC1
CH$IUPAC: InChI=1S/C10H11N3O4/c14-12(15)8-3-4-9(10(7-8)13(16)17)11-5-1-2-6-11/h3-4,7H,1-2,5-6H2
CH$LINK: INCHIKEY ARCUVLVHQWONDY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20303449

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$SPLASH: splash10-00di-3950000000-e829f5ff20ca52861603
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  52 6.1 61
  54 6.1 61
  63 10.2 102
  75 11.6 116
  76 18.7 187
  77 9.3 93
  78 8.9 89
  89 0.91 9
  90 7.5 75
  91 7 70
  103 10 100
  116 0.75 8
  117 7.5 75
  118 9.1 91
  143 16.7 167
  144 1.94 19
  145 18.5 185
  149 32.7 327
  162 10 100
  164 0.84 8
  174 10.2 102
  180 16.2 162
  189 55.6 556
  190 9.51 95
  191 12.3 123
  220 99.99 999
  221 13.9 139
  237 3.34 33
  238 5.7 57
//

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