ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008237
RECORD_TITLE: 4-NITROPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: 4-NITROPHENOL
CH$NAME: 4-HYDROXYNITROBENZENE
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$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-000i-9400000000-b5aea5436a88b29179e9
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  30 7.67 77
  38 11.99 120
  39 61.51 615
  43 1.06 11
  44 3.6 36
  45 3.8 38
  50 3.93 39
  51 3.65 37
  52 3.51 35
  53 16.88 169
  62 7.38 74
  63 16.81 168
  64 7.54 75
  65 70.34 703
  66 4.55 46
  81 20.84 208
  93 24.2 242
  109 31.5 315
  123 5.54 55
  139 99.99 999
  140 5.55 56
//