ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000201
RECORD_TITLE: META 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$NAME: META NITROTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7NO2
CH$EXACT_MASS: 137.04768
CH$SMILES: Cc(c1)cc(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
CH$LINK: INCHIKEY QZYHIOPPLUPUJF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021831
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$SPLASH: splash10-00ko-9200000000-f3244e290f82825b0372
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 2.12 21
  30 3.53 35
  38 2.47 25
  39 19.51 195
  40 1.29 13
  41 5.41 54
  50 4.23 42
  51 7.05 71
  52 1.65 17
  53 1.18 12
  61 1.18 12
  62 3.47 35
  63 11.16 112
  64 2.82 28
  65 61.93 619
  66 3.23 32
  77 6.35 64
  79 8.23 82
  89 8.05 81
  90 3.53 35
  91 99.99 999
  92 7.58 76
  107 9.93 99
  121 0.94 9
  137 48.35 484
  138 4 40
//
