MassBank Record: JP000499



 5-ETHYNYLPYRIDINE-2-CARBOXYLIC ACID; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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)
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 //