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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002915

M-HYDROXY NITROBEZENE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002915
RECORD_TITLE: M-HYDROXY NITROBEZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: M-HYDROXY NITROBEZENE
CH$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$LINK: INCHIKEY RTZZCYNQPHTPPL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2025765

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000i-9300000000-61a9f9ee5abf083439c5
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 6.19 62
  29 3.64 36
  30 10.58 106
  37 3.81 38
  38 11.85 119
  39 70.42 704
  43 2.15 22
  50 5.24 52
  51 4.14 41
  53 17.06 171
  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
  81 18.79 188
  93 62.29 623
  94 4.14 41
  109 6.16 62
  123 2.23 22
  139 99.99 999
  140 7.18 72
//

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