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
//