ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010794
RECORD_TITLE: 4-NITROPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
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$LINK: INCHIKEY BTJIUGUIPKRLHP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021834

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-00kr-9800000000-922ed2e0967364251838
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  40 4.66 47
  43 1.31 13
  50 4.3 43
  51 5.1 51
  52 6.82 68
  53 10.96 110
  54 2.19 22
  55 1.47 15
  57 1.83 18
  61 2.55 26
  62 5.34 53
  63 11.36 114
  64 6.3 63
  65 53.53 535
  66 4.38 44
  74 2.59 26
  75 1.99 20
  79 1.75 18
  80 1.39 14
  81 10.25 103
  92 1.59 16
  93 19.9 199
  94 1.47 15
  105 1.75 18
  107 9.25 93
  108 1.79 18
  109 15.47 155
  110 1.83 18
  123 4.82 48
  135 3.51 35
  139 99.99 999
  140 7.06 71
//