ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000227
RECORD_TITLE: ORTHO-NITROPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-NITROPHENOL
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00or-9400000000-0b2fa2c21d7e26794876
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  26 4.3 43
  27 8.7 87
  28 3.1 31
  29 0.22 2
  30 11.3 113
  37 7.5 75
  38 18.7 187
  39 5.6 56
  40 2.6 26
  49 1.9 19
  50 8.2 82
  51 1.35 14
  52 5.9 59
  53 16.9 169
  54 1.5 15
  55 0.17 2
  61 4.7 47
  62 10.1 101
  63 39.4 394
  64 2.88 29
  65 50.3 503
  66 4.4 44
  67 1.6 16
  74 0.26 3
  75 2.8 28
  76 1.5 15
  78 7 70
  79 0.11 1
  80 1.1 11
  81 30.6 306
  82 1.9 19
  92 0.98 10
  93 11.6 116
  94 6.4 64
  106 3.9 39
  109 2.52 25
  110 2.4 24
  112 6.8 68
  113 1.9 19
  129 99.99 999
  130 7.6 76
  131 1.2 12
//