ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006266
RECORD_TITLE: 2-NITRORESORCINOL; 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$NAME: 2-NITRORESORCINOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5NO4
CH$EXACT_MASS: 155.02186
CH$SMILES: [O-1][N+1](=O)c(c(O)1)c(O)ccc1
CH$IUPAC: InChI=1S/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H
CH$LINK: CAS 601-89-8
CH$LINK: INCHIKEY ZLCPKMIJYMHZMJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4060525
AC$INSTRUMENT: HITACHI M-80
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: splash10-0a4i-8900000000-515f30ef784e83de0569
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  26 1.62 16
  27 2.29 23
  29 1.47 15
  30 4.39 44
  37 2.24 22
  38 4.33 43
  39 14.71 147
  40 1.42 14
  41 1.17 12
  42 0.95 10
  49 1.44 14
  50 6.15 62
  51 13.01 130
  54 7.3 73
  55 6.29 63
  56 0.54 5
  61 1.67 17
  62 3.39 34
  63 5.54 55
  64 1.99 20
  65 3.63 36
  66 4.18 42
  67 1.39 14
  68 2.64 26
  69 2.14 21
  70 4.09 41
  77 1.55 16
  78 0.56 6
  79 7.54 75
  80 5.45 55
  81 26.77 268
  82 2.7 27
  83 0.56 6
  91 1.43 14
  93 11.09 111
  94 2.81 28
  95 33.6 336
  96 4.5 45
  97 1.65 17
  107 1.26 13
  108 1.45 15
  109 99.99 999
  110 6.28 63
  111 0.65 7
  122 2.29 23
  137 14.59 146
  138 1.81 18
  139 1.63 16
  155 81.43 814
  156 6.61 66
  157 0.87 9
//
