MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001302

ACETIC ACID BUTYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001302
RECORD_TITLE: ACETIC ACID BUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: ACETIC ACID BUTYL ESTER
CH$NAME: BUTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCCCOC(C)=O
CH$IUPAC: InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
CH$LINK: INCHIKEY DKPFZGUDAPQIHT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021982

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AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9000000000-e7000014bd02a2fabf76
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 3.78 38
  27 5.04 50
  28 3.09 31
  29 6.68 67
  31 1.32 13
  39 2.9 29
  41 14.49 145
  42 2.52 25
  43 99.99 999
  44 2.52 25
  55 7.06 71
  56 39.89 399
  57 3.21 32
  58 1.83 18
  61 12.92 129
  71 1.39 14
  73 14.74 147
  87 1.26 13
//