ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011486
RECORD_TITLE: 2,6-DI-CARBOXY-PYRIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 2,6-DI-CARBOXY-PYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅NO₄
CH$EXACT_MASS: 167.02186
CH$SMILES: OC(=O)c(c1)nc(cc1)C(O)=O
CH$IUPAC: InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
CH$LINK: INCHIKEY WJJMNDUMQPNECX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7022043

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0kor-9400000000-4be19de76ddc678df43f
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  36 2.65 27
  37 2.83 28
  38 5.25 53
  39 12.04 120
  40 2.86 29
  41 20.93 209
  42 3.62 36
  43 14.65 147
  44 10.56 106
  45 24.27 243
  49 4.66 47
  50 26.44 264
  51 38.02 380
  52 18.58 186
  53 8.38 84
  54 2.09 21
  55 12.23 122
  56 3.62 36
  57 9.9 99
  59 0.12 1
  60 6.26 63
  61 1.43 14
  65 2.39 24
  66 6.22 62
  67 6.44 64
  68 6.13 61
  69 19.58 196
  70 3.82 38
  71 3.67 37
  73 5.15 52
  74 1.24 12
  75 7.25 73
  76 13.34 133
  77 59.69 597
  78 18.84 188
  79 7.34 73
  80 1.77 18
  81 12.69 127
  82 3.27 33
  83 4.86 49
  84 2.3 23
  85 2.48 25
  87 1.22 12
  91 1.87 19
  93 3.84 38
  94 7.8 78
  95 5.74 57
  96 2.38 24
  97 3.17 32
  98 1.86 19
  99 1.03 10
  104 1.56 16
  105 71.81 718
  106 5.39 54
  107 2.51 25
  109 2.68 27
  111 2.35 24
  119 1.01 10
  121 3.2 32
  122 6.19 62
  123 99.99 999
  124 7.23 72
  125 1.33 13
  129 1.96 20
  134 1.17 12
  135 1.93 19
  136 3.57 36
  137 3.43 34
  149 2.98 30
  150 1.33 13
  167 1.35 14
//