ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004257
RECORD_TITLE: 4-PYRIDINECARBOXYLIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 4-PYRIDINECARBOXYLIC ACID METHYL ESTER
CH$NAME: ISONICOTINIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇NO₂
CH$EXACT_MASS: 137.04768
CH$SMILES: COC(=O)c(c1)ccnc1
CH$IUPAC: InChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3
CH$LINK: CAS 2459-09-8
CH$LINK: INCHIKEY OLXYLDUSSBULGU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9062433

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0ufr-9200000000-c4099eb149c5af9fd73e
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  36 2.2 22
  38 3.7 37
  39 6.5 65
  49 0.45 5
  50 39.6 396
  51 99.99 999
  52 10 100
  53 0.32 3
  65 2.5 25
  66 2 20
  75 2.5 25
  76 0.4 4
  77 4.5 45
  78 72.3 723
  79 13.8 138
  92 0.25 3
  93 3.7 37
  105 2.5 25
  106 20.6 206
  107 1.78 18
  108 2.5 25
  119 4.7 47
  136 2.5 25
  137 8.04 80
  138 17.5 175
  139 1.2 12
//