ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000216
RECORD_TITLE: META 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$NAME: META NITRO PHENOL
CH$NAME: META HYDROXY NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅NO₃
CH$EXACT_MASS: 139.02694
CH$SMILES: Oc(c1)cc(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H
CH$LINK: INCHIKEY RTZZCYNQPHTPPL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2025765

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$SPLASH: splash10-00kr-9300000000-7e5dce0e1f5aeb2df0d2
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  26 1.27 13
  27 4.65 47
  28 2.1 21
  29 1.57 16
  30 7.2 72
  37 3.07 31
  38 8.4 84
  39 56.97 570
  40 2.4 24
  43 2.17 22
  50 4.65 47
  51 3.75 38
  52 1.65 17
  53 13.04 130
  55 2.55 26
  61 2.25 23
  62 5.02 50
  63 14.69 147
  64 8.02 80
  65 89.58 896
  66 7.05 71
  74 2.25 23
  75 2.25 23
  81 18.67 187
  92 4.05 41
  93 62.59 626
  94 6.75 68
  109 4.87 49
  120 3 30
  138 2.02 20
  139 99.99 999
  140 7.27 73
//