ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000200
RECORD_TITLE: ORTHO 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$NAME: ORTHO NITROTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇NO₂
CH$EXACT_MASS: 137.04768
CH$SMILES: [O-1][N+1](=O)c(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
CH$LINK: INCHIKEY PLAZTCDQAHEYBI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4025791

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$SPLASH: splash10-01bc-9200000000-784806f929d9f9137b2e
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 2.93 29
  30 1.22 12
  38 3.05 31
  39 24.39 244
  40 1.52 15
  41 6.1 61
  50 6.1 61
  51 11.4 114
  52 3.29 33
  53 1.95 20
  61 1.28 13
  62 4.63 46
  63 15.79 158
  64 6.71 67
  65 99.99 999
  66 6.83 68
  77 16.46 165
  78 3.54 35
  79 2.44 24
  89 16.28 163
  90 6.83 68
  91 47.93 479
  92 45.24 452
  93 7.01 70
  120 87.8 878
  121 7.32 73
  137 5 50
  138 0.61 6
//