MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004942

ETHYL BUTANOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004942
RECORD_TITLE: ETHYL BUTANOATE; 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$NAME: ETHYL BUTANOATE
CH$NAME: ETHYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCCC(=O)OCC
CH$IUPAC: InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
CH$LINK: CAS 105-54-4
CH$LINK: INCHIKEY OBNCKNCVKJNDBV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6040111

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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$SPLASH: splash10-00du-9000000000-5cfbe6fd33a8e1accffd
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  40 11.96 120
  42 11.97 120
  43 75.93 759
  44 1.59 16
  45 15.87 159
  55 3.68 37
  57 1.27 13
  60 20.54 205
  61 9.87 99
  70 9.07 91
  71 99.99 999
  72 4.64 46
  73 18.07 181
  88 54 540
  89 16.26 163
  101 7.63 76
  116 4.51 45
//