ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011613
RECORD_TITLE: 2,6-PYRIDINE DICARBOXYLIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2,6-PYRIDINE DICARBOXYLIC ACID
CH$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$LINK: CAS 499-83-2
CH$LINK: INCHIKEY WJJMNDUMQPNECX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7022043

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-0g29-9200000000-bbc0b97db569b40d51b6
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  15 1.58 16
  16 2.14 21
  17 20.22 202
  18 86.54 865
  20 1.94 19
  26 8.32 83
  27 11.71 117
  28 19.02 190
  29 3.71 37
  30 1.83 18
  31 1.1 11
  32 3.78 38
  37 3.65 37
  38 6.42 64
  39 13.67 137
  40 2.39 24
  41 6.28 63
  42 2.23 22
  43 5.29 53
  44 12.67 127
  45 18.91 189
  49 4.99 50
  50 28.4 284
  51 42.76 428
  52 22.52 225
  53 6.69 67
  54 1.09 11
  55 3.81 38
  56 3.24 32
  57 4.14 41
  58 1.02 10
  60 2.11 21
  61 1.02 10
  65 1.78 18
  66 6.58 66
  67 2.5 25
  68 1.49 15
  69 2.49 25
  70 1.1 11
  71 1.31 13
  73 2.32 23
  74 1.1 11
  75 7.28 73
  76 12.48 125
  77 73.26 733
  78 22.6 226
  79 12.62 126
  80 1.38 14
  81 1.36 14
  83 1.4 14
  85 1.09 11
  87 1.05 11
  93 1.5 15
  94 8.33 83
  95 1.48 15
  104 1.63 16
  106 6.51 65
  122 7.94 79
  123 99.99 999
  124 7.64 76
  138 3.82 38
  149 1.86 19
  150 1.6 16
//