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MassBank Record: JP002914

O-HYDROXY NITROBENZEN; EI-B; MS

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

ACCESSION: JP002914
RECORD_TITLE: O-HYDROXY NITROBENZEN; 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$NAME: O-HYDROXY NITROBENZEN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5NO3
CH$EXACT_MASS: 139.02694
CH$SMILES: [O-1][N+1](=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
CH$LINK: INCHIKEY IQUPABOKLQSFBK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021790

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$SPLASH: splash10-000i-9400000000-5e9ee1def0d14ad0f214
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  18 4.16 42
  26 3.1 31
  27 8.59 86
  29 2.83 28
  30 9.83 98
  37 5.25 53
  38 13.97 140
  39 42.99 430
  40 2.22 22
  44 3.09 31
  50 5.64 56
  51 9.62 96
  52 5.29 53
  53 17.38 174
  55 2.64 26
  61 3.2 32
  62 7.76 78
  63 30.57 306
  64 23.91 239
  65 38.92 389
  66 5.6 56
  78 4.19 42
  80 3.05 31
  81 21.02 210
  92 9.06 91
  93 12.88 129
  94 5.58 56
  106 3.26 33
  109 17.67 177
  122 7.01 70
  123 2.61 26
  139 99.99 999
  140 7.06 71
//

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