ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000501
RECORD_TITLE: BETA-(2-PYRIDYL)-TRANS-ACRYLIC 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$NAME: BETA-(2-PYRIDYL)-TRANS-ACRYLIC ACID
CH$NAME: 3-(2-PYRIDYL)-TRANS-PROPENOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₇NO₂
CH$EXACT_MASS: 149.04768
CH$SMILES: OC(=O)C=Cc(c1)nccc1
CH$IUPAC: InChI=1S/C8H7NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h1-6H,(H,10,11)/b5-4+
CH$LINK: INCHIKEY LKDFTXDJKHGCAC-SNAWJCMRSA-N

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$SPLASH: splash10-0udj-1900000000-4e5f32394f9ad226a7ac
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  50 2 20
  51 12.5 125
  77 5.8 58
  78 0.65 7
  79 10.5 105
  104 96.2 962
  105 38.4 384
  106 0.46 5
  148 2.7 27
  149 99.99 999
  150 10.4 104
  151 1 10
//