ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004102
RECORD_TITLE: 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$NAME: 2-PYRAZINECARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₄N₂O₂
CH$EXACT_MASS: 124.02728
CH$SMILES: OC(=O)c(c1)nccn1
CH$IUPAC: InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
CH$LINK: INCHIKEY NIPZZXUFJPQHNH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30243367

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$SPLASH: splash10-0fc0-9100000000-0d1d9343efa8efa99226
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  25 3.9 39
  26 34.1 341
  27 3.2 32
  28 24.3 243
  29 1.1 11
  38 3 30
  39 3.9 39
  39.5 0.24 2
  40 2.9 29
  41 2.2 22
  42 3.8 38
  44 0.24 2
  45 8.8 88
  50 2.1 21
  51 20.8 208
  52 7.74 77
  53 77.4 774
  54 3.5 35
  69 1.4 14
  70 2.06 21
  77 2.5 25
  78 11.2 112
  79 38.9 389
  80 99.99 999
  81 5.4 54
  106 17 170
  107 8 80
  124 7.2 72
  125 10.9 109
//