ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004229
RECORD_TITLE: 2-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$NAME: 2-PYRIDINECARBOXYLIC ACID METHYL ESTER
CH$NAME: PICOLINIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7NO2
CH$EXACT_MASS: 137.04768
CH$SMILES: COC(=O)c(c1)nccc1
CH$IUPAC: InChI=1S/C7H7NO2/c1-10-7(9)6-4-2-3-5-8-6/h2-5H,1H3
CH$LINK: INCHIKEY NMMIHXMBOZYNET-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4062432
AC$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: splash10-004i-9200000000-2f12ad4be9d681ee2d43
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  49 1.4 14
  50 8.8 88
  51 31.3 313
  52 1.43 14
  53 1.9 19
  65 1.4 14
  66 1.4 14
  76 0.19 2
  77 1.4 14
  78 77 770
  79 99.99 999
  80 0.64 6
  106 12.6 126
  107 35.6 356
  108 2.6 26
  137 5.2 52
//
