ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008236
RECORD_TITLE: 3-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$NAME: 3-NITROPHENOL
CH$NAME: 3-HYDROXYNITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅NO₃
CH$EXACT_MASS: 139.02694
CH$SMILES: Oc(c1)cc(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H
CH$LINK: CAS 554-84-7
CH$LINK: INCHIKEY RTZZCYNQPHTPPL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2025765

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$SPLASH: splash10-000i-9200000000-e424a07b3976804a39bc
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 6.19 62
  28 1.43 14
  29 3.64 36
  30 10.58 106
  37 3.81 38
  38 11.85 119
  39 70.42 704
  40 1.92 19
  43 2.15 22
  50 5.24 52
  51 4.14 41
  53 17.06 171
  55 1.57 16
  61 2.72 27
  62 7.4 74
  63 17.25 173
  64 8.88 89
  65 78.2 782
  66 6.88 69
  74 2.25 23
  75 1.88 19
  81 18.79 188
  92 1.93 19
  93 62.29 623
  94 4.14 41
  109 6.16 62
  123 2.23 22
  139 99.99 999
  140 7.18 72
  141 1.45 15
//