ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009524
RECORD_TITLE: 4-NITROPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 4-NITROPHENOL
CH$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$LINK: CAS 100-02-7
CH$LINK: INCHIKEY BTJIUGUIPKRLHP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021834

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-05n0-9300000000-f284a324180bf4d7ffc2
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  25 4.51 45
  26 3.52 35
  27 1.82 18
  28 5.26 53
  29 41.39 414
  37 7.16 72
  38 17.29 173
  39 56.89 569
  40 1.74 17
  42 1.84 18
  46 22.12 221
  49 1.96 20
  50 12.41 124
  51 9.82 98
  52 8.33 83
  53 23.74 237
  54 3.2 32
  55 3.93 39
  60 1.43 14
  61 10.82 108
  62 22.22 222
  63 41.94 419
  64 14.77 148
  65 99.99 999
  66 8.7 87
  67 1.68 17
  73 1.62 16
  74 6.86 69
  75 4.71 47
  76 1.3 13
  79 1.31 13
  80 1.01 10
  81 48.26 483
  82 3.17 32
  92 2.94 29
  93 21.41 214
  94 1.86 19
  109 80.6 806
  110 6.04 60
  123 6.44 64
  139 74.57 746
  140 9.4 94
//