ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000225
RECORD_TITLE: PARA-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$NAME: PARA-NITROPHENOL
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00or-9500000000-a23a22fc322241325904
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  26 5.3 53
  27 10.5 105
  28 1.6 16
  29 0.33 3
  30 11.7 117
  37 6.7 67
  38 16.8 168
  39 8.1 81
  40 3.1 31
  42 1.5 15
  43 1.5 15
  49 0.16 2
  50 9.3 93
  51 8 80
  52 5.2 52
  53 1.36 14
  54 2.1 21
  55 3.5 35
  61 6.4 64
  62 1.21 12
  63 24.6 246
  64 10.9 109
  65 99.99 999
  66 0.62 6
  67 1.2 12
  73 1.3 13
  74 4.8 48
  75 0.33 3
  81 27.6 276
  82 1.7 17
  92 2.3 23
  93 2.31 23
  94 1.7 17
  109 48.4 484
  110 3.5 35
  113 0.48 5
  129 98.2 982
  130 9.2 92
  131 1.1 11
//