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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000202

PARA NITROTOLUENE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000202
RECORD_TITLE: PARA NITROTOLUENE; 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$NAME: PARA NITROTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7NO2
CH$EXACT_MASS: 137.04768
CH$SMILES: Cc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
CH$LINK: INCHIKEY ZPTVNYMJQHSSEA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5023792

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$SPLASH: splash10-00ku-9200000000-ac122504d1131c854543
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 3.47 35
  28 2.77 28
  30 4.71 47
  37 1.18 12
  38 3.42 34
  39 26.09 261
  40 1.83 18
  41 6.89 69
  50 7.36 74
  51 10.6 106
  52 2.83 28
  53 2.06 21
  61 1.71 17
  62 4.95 50
  63 15.31 153
  64 3.65 37
  65 79.56 796
  66 4.24 42
  77 12.25 123
  78 2.3 23
  79 11.9 119
  89 10.42 104
  90 3.24 32
  91 99.99 999
  92 7.6 76
  107 18.26 183
  108 1.3 13
  121 1.59 16
  137 66.49 665
  138 5.36 54
//

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