MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004941

ETHYL CROTONATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004941
RECORD_TITLE: ETHYL CROTONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: ETHYL CROTONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₂
CH$EXACT_MASS: 114.06808
CH$SMILES: CC=CC(=O)OCC
CH$IUPAC: InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+
CH$LINK: CAS 623-70-1
CH$LINK: INCHIKEY ZFDIRQKJPRINOQ-HWKANZROSA-N
CH$LINK: COMPTOX DTXSID5057591

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AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-014i-9000000000-e76d15352df041ad9a32
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  40 12.16 122
  42 2.14 21
  43 1.36 14
  45 3.37 34
  55 1.03 10
  68 5.3 53
  69 99.99 999
  70 5.44 54
  71 2.14 21
  86 8.82 88
  87 2.5 25
  99 31.87 319
  100 1.92 19
  114 3.02 30
//