ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011612
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$SPLASH: splash10-0kor-7900000000-48c091dd3ea56a6cad7d
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  18 1.14 11
  26 4.89 49
  27 5.33 53
  28 3.23 32
  29 1.26 13
  37 2.34 23
  38 3.96 40
  39 9.19 92
  40 1.33 13
  44 5.18 52
  45 14.97 150
  49 3.16 32
  50 18.88 189
  51 28.19 282
  52 16.42 164
  53 4.64 46
  65 1.13 11
  66 4.58 46
  67 1.07 11
  75 4.58 46
  76 9.13 91
  77 55.76 558
  78 16.43 164
  79 7.13 71
  80 1.44 14
  93 1 10
  94 6.54 65
  104 1.27 13
  105 79.62 796
  106 6.34 63
  122 14.03 140
  123 99.99 999
  124 7.75 78
  150 18.54 185
  151 1.62 16
  168 31.3 313
  169 2.58 26
//