ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000217
RECORD_TITLE: PARA 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$NAME: PARA NITRO PHENOL
CH$NAME: PARA HYDROXY NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅NO₃
CH$EXACT_MASS: 139.02694
CH$SMILES: Oc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
CH$LINK: INCHIKEY BTJIUGUIPKRLHP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021834

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$SPLASH: splash10-00kr-9200000000-6a367c2627bf30cad163
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  26 5.34 53
  27 11.21 112
  28 3.47 35
  29 3.2 32
  30 10.15 102
  37 6.68 67
  38 16.69 167
  39 86.11 861
  40 2.94 29
  43 2.34 23
  44 2.47 25
  50 12.02 120
  51 9.75 98
  52 7.34 73
  53 22.96 230
  54 2.34 23
  55 3.47 35
  61 5.61 56
  62 12.02 120
  63 26.57 266
  64 11.28 113
  65 99.99 999
  66 7.88 79
  74 5.47 55
  75 5.81 58
  80 1.8 18
  81 28.04 280
  82 1.87 19
  92 2.47 25
  93 17.69 177
  94 1.8 18
  95 3.94 39
  109 64.22 642
  110 4.14 41
  123 9.21 92
  139 40.65 407
  140 5.67 57
//