ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000215
RECORD_TITLE: ORTHO NITRO PHENOL; 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$NAME: ORTHO NITRO PHENOL
CH$NAME: ORTHO HYDROXY NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅NO₃
CH$EXACT_MASS: 139.02694
CH$SMILES: [O-1][N+1](=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
CH$LINK: INCHIKEY IQUPABOKLQSFBK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021790

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$SPLASH: splash10-000i-9400000000-9f71669040926044f8d0
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  26 2.06 21
  27 5.79 58
  28 3.89 39
  30 5.4 54
  37 3.17 32
  38 10 100
  39 40.63 406
  50 4.05 41
  51 8.41 84
  52 3.73 37
  53 14.44 144
  61 1.75 18
  62 5.16 52
  63 27.3 273
  64 25.32 253
  65 45.48 455
  66 4.21 42
  78 3.17 32
  81 16.75 168
  92 8.1 81
  93 11.35 114
  94 4.52 45
  106 2.86 29
  109 14.29 143
  122 6.35 64
  123 2.22 22
  139 99.99 999
  140 6.67 67
//