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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002998

4-PYRIDYL ACETATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002998
RECORD_TITLE: 4-PYRIDYL 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$NAME: 4-PYRIDYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7NO2
CH$EXACT_MASS: 137.04768
CH$SMILES: CC(=O)Oc(c1)ccnc1
CH$IUPAC: InChI=1S/C7H7NO2/c1-6(9)10-7-2-4-8-5-3-7/h2-5H,1H3
CH$LINK: INCHIKEY PTZQTYADHHANGW-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$SPLASH: splash10-00kp-9100000000-abd4c33fa2c7b8460677
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  38 9 90
  39 27 270
  40 23 230
  41 1.7 17
  42 16 160
  43 99.99 999
  52 5 50
  53 0.07 1
  66 5 50
  67 82 820
  68 10 100
  69 0.04 0
  95 72 720
  96 21 210
  108 3 30
  109 0.14 1
  137 62 620
  138 6 60
//

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