ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003004
RECORD_TITLE: 4-PICOLYL 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$NAME: 4-PICOLYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₉NO₂
CH$EXACT_MASS: 151.06333
CH$SMILES: CC(=O)OCc(c1)ccnc1
CH$IUPAC: InChI=1S/C8H9NO2/c1-7(10)11-6-8-2-4-9-5-3-8/h2-5H,6H2,1H3
CH$LINK: INCHIKEY ZGXKOLGDFWQRMM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20143463

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$SPLASH: splash10-052f-9500000000-bbfd0a9aa9ee5662d460
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  38 4 40
  39 20 200
  43 99.99 999
  50 0.8 8
  51 14 140
  52 8 80
  53 9 90
  63 0.05 1
  64 6 60
  65 13 130
  78 4 40
  79 0.06 1
  80 24 240
  91 6 60
  92 15 150
  108 0.16 2
  109 88 880
  110 7 70
  151 27 270
  152 3 30
//