MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001671

PARA-NITROBENZONITRILE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001671
RECORD_TITLE: PARA-NITROBENZONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PARA-NITROBENZONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H4N2O2
CH$EXACT_MASS: 148.02728
CH$SMILES: N#Cc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H
CH$LINK: INCHIKEY NKJIFDNZPGLLSH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7060706

AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-9700000000-8aa8029bcd60db9a3b18
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 3.9 39
  30 32.99 330
  37 3.09 31
  38 2.95 30
  39 3.68 37
  49 1.84 18
  50 16.13 161
  51 22.83 228
  52 5.15 52
  62 2.21 22
  63 5.15 52
  64 3.09 31
  73 1.4 14
  74 6.11 61
  75 38.59 386
  76 18.04 180
  90 22.97 230
  91 1.4 14
  98 1.84 18
  102 99.99 999
  103 7.66 77
  118 7.73 77
  132 1.55 16
  148 48.9 489
  149 4.34 43
//

system version 2.2.8-SNAPSHOT
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo