ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002060
RECORD_TITLE: METHYL 5-ETHYNYLPYRIDINE-2-CARBOXYLATE; 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$NAME: METHYL 5-ETHYNYLPYRIDINE-2-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₇NO₂
CH$EXACT_MASS: 161.04768
CH$SMILES: C#Cc(c1)cnc(c1)C(=O)OC
CH$IUPAC: InChI=1S/C9H7NO2/c1-3-7-4-5-8(10-6-7)9(11)12-2/h1,4-6H,2H3
CH$LINK: INCHIKEY PGYCVRHIHIYNBF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50340923

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$SPLASH: splash10-0udi-9600000000-27747792cfde12ea1a6e
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  39 12.7 127
  40 1.2 12
  41 3.7 37
  43 0.26 3
  50 53.4 534
  51 64.6 646
  52 20 200
  53 0.61 6
  59 12.3 123
  62 7.8 78
  63 13.7 137
  64 0.21 2
  73 7.8 78
  74 41.3 413
  75 89.7 897
  76 7.24 72
  77 6.9 69
  78 4.1 41
  89 2.3 23
  101 0.12 1
  102 52.8 528
  103 99.99 999
  116 1.8 18
  117 0.23 2
  130 18.3 183
  131 61.4 614
  136 3.8 38
  161 1.42 14
  162 2.1 21
//