MassBank Record: JP003019

Home Search Record Index Data Privacy Imprint

(3-METHYLPYRID-4-YL)-METHYL ACETATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP003019
RECORD_TITLE: (3-METHYLPYRID-4-YL)-METHYL ACETATE; 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$NAME: (3-METHYLPYRID-4-YL)-METHYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H11NO2
CH$EXACT_MASS: 165.078980000000001382431946694850921630859375
CH$SMILES: CC(=O)OCc(c1)c(C)cnc1
CH$IUPAC: InChI=1S/C9H11NO2/c1-7-5-10-4-3-9(7)6-12-8(2)11/h3-5H,6H2,1-2H3
CH$LINK: INCHIKEY CEWMIVBWLKCOMW-UHFFFAOYSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4l-5900000000-076ecfb29d13ac7da499
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  39 13 130
  41 5 50
  43 47 470
  51 0.5 5
  65 7 70
  77 7 70
  78 9 90
  79 0.06 1
  94 15 150
  104 9 90
  105 99.99 999
  106 0.15 2
  122 8 80
  123 39 390
  165 9 90
  166 1.5 15
//