ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006265
RECORD_TITLE: 3-NITROPHTHALIC ACID; 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$NAME: 3-NITROPHTHALIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H5NO6
CH$EXACT_MASS: 211.01169
CH$SMILES: OC(=O)c(c1)c(C(O)=O)c(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13)
CH$LINK: CAS 603-11-2
CH$LINK: INCHIKEY KFIRODWJCYBBHY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9060528
AC$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: splash10-016s-9800000000-fb85d9e5b63ce3083e3d
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  30 11.96 120
  37 3.65 37
  38 4.52 45
  39 12.09 121
  40 0.59 6
  44 3.35 34
  45 8.99 90
  46 2.85 29
  49 2.93 29
  50 17.82 178
  51 9.41 94
  52 2.11 21
  53 11.65 117
  54 0.58 6
  55 3.27 33
  61 3.68 37
  62 6.52 65
  63 23.81 238
  64 12.43 124
  65 38.43 384
  66 4.58 46
  67 0.77 8
  69 1.76 18
  73 8.33 83
  74 43.28 433
  75 94.31 943
  76 16.15 162
  77 8.61 86
  78 1.89 19
  79 2.36 24
  80 0.71 7
  81 26.25 263
  82 1.49 15
  89 0.91 9
  90 1.4 14
  91 21.51 215
  92 19.23 192
  93 14.41 144
  94 1.3 13
  103 22.46 225
  104 11.22 112
  105 7.11 71
  106 1.21 12
  107 6.3 63
  108 0.96 10
  109 6.52 65
  110 0.5 5
  119 30.47 305
  120 5.44 54
  121 37.83 378
  122 3.39 34
  123 20.56 206
  124 1.42 14
  135 0.79 8
  137 11 110
  138 1.11 11
  147 5.49 55
  148 3.4 34
  149 89.7 897
  150 8.95 90
  151 1.15 12
  163 1.09 11
  167 99.99 999
  168 8.42 84
  169 1.18 12
  177 1.32 13
  193 1 10
  194 10.08 101
  195 1.74 17
  211 5.86 59
  212 0.85 9
//
