ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000499
RECORD_TITLE: 5-ETHYNYLPYRIDINE-2-CARBOXYLIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 5-ETHYNYLPYRIDINE-2-CARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₅NO₂
CH$EXACT_MASS: 147.03203
CH$SMILES: C#Cc(c1)cnc(c1)C(O)=O
CH$IUPAC: InChI=1S/C8H5NO2/c1-2-6-3-4-7(8(10)11)9-5-6/h1,3-5H,(H,10,11)
CH$LINK: INCHIKEY ZCSPZVBBZKXFHF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10340924

AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-9500000000-0db77a614134ab0942bf
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  39 4.8 48
  41 2.1 21
  43 3.4 34
  45 1.16 12
  49 1.8 18
  50 51.2 512
  51 25.6 256
  52 1.32 13
  62 4.1 41
  63 7 70
  64 3.8 38
  73 0.37 4
  74 20.7 207
  75 28.4 284
  76 56.3 563
  77 0.81 8
  101 2.8 28
  102 18.9 189
  103 99.99 999
  104 1.01 10
  147 5 50
//