ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009415
RECORD_TITLE: META-NITROBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: META-NITROBENZOIC ACID
CH$NAME: 3-NITROBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅NO₄
CH$EXACT_MASS: 167.02186
CH$SMILES: OC(=O)c(c1)cc(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
CH$LINK: INCHIKEY AFPHTEQTJZKQAQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0025737

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0gb9-9700000000-3935caa792945e368800
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  27 1.38 14
  30 29.24 292
  37 1.23 12
  38 2.31 23
  39 18.66 187
  45 4.32 43
  46 7.04 70
  50 10.36 104
  51 6.72 67
  53 3.45 35
  55 1.7 17
  62 1.25 13
  63 7.23 72
  64 2.59 26
  65 99.99 999
  66 5.83 58
  74 7.81 78
  75 7.52 75
  76 11.92 119
  77 2.52 25
  79 3.54 35
  81 8.58 86
  91 1.4 14
  92 12.04 120
  93 4.51 45
  95 1.07 11
  103 2.49 25
  104 6.62 66
  105 1.45 15
  107 1.84 18
  109 5.41 54
  121 27.09 271
  122 3.16 32
  123 4.73 47
  134 1.75 18
  135 2.22 22
  136 2.37 24
  137 8.85 89
  138 1.64 16
  148 1.45 15
  150 42.01 420
  151 40.63 406
  152 5.96 60
  167 34.56 346
  168 26.22 262
  169 2.32 23
//