ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004104
RECORD_TITLE: 5-HYDROXY-2-PYRAZINECARBOXYLIC 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$NAME: 5-HYDROXY-2-PYRAZINECARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₄N₂O₃
CH$EXACT_MASS: 140.02219
CH$SMILES: OC(=O)c(c1)ncc(O)n1
CH$IUPAC: InChI=1S/C5H4N2O3/c8-4-2-6-3(1-7-4)5(9)10/h1-2H,(H,7,8)(H,9,10)
CH$LINK: INCHIKEY CGQFCIHUUCMACC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40188179

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-0006-9300000000-a1a02f9bce8cdfe96e7f
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  17 3 30
  18 15.8 158
  25 1.6 16
  26 3.1 31
  27 4.2 42
  28 61.3 613
  29 14.7 147
  36 0.17 2
  38 9.8 98
  39 16.9 169
  40 36.1 361
  41 2.93 29
  42 16.6 166
  43 2.8 28
  44 6.6 66
  45 1.03 10
  51 5.6 56
  52 5.6 56
  53 13.4 134
  54 0.26 3
  55 3.1 31
  56 5.7 57
  57 3.7 37
  65 0.17 2
  66 2.9 29
  68 44.9 449
  69 8.8 88
  70 0.44 4
  77 2.5 25
  94 4.2 42
  95 41.2 412
  96 5.73 57
  97 3.5 35
  112 3.1 31
  121 4.8 48
  122 1.45 15
  123 6.8 68
  140 99.99 999
  141 8.3 83
  142 1.5 15
//