MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002106

METHYL ACETO ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002106
RECORD_TITLE: METHYL ACETO ACETATE; 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$NAME: METHYL ACETO ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O₃
CH$EXACT_MASS: 116.04734
CH$SMILES: COC(=O)CC(C)=O
CH$IUPAC: InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
CH$LINK: INCHIKEY WRQNANDWMGAFTP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9026716

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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$SPLASH: splash10-0006-9000000000-9801f4fde1f8c64f6baf
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  14 1.77 18
  15 13.13 131
  26 2.3 23
  27 4.6 46
  28 3.94 39
  29 7.22 72
  31 9.91 99
  32 5.91 59
  39 1.77 18
  41 3.74 37
  42 11.23 112
  43 99.99 999
  44 4.73 47
  57 2.1 21
  58 2.04 20
  59 9.32 93
  69 13.72 137
  74 5.98 60
  84 9.19 92
  85 7.22 72
  88 3.22 32
  101 2.82 28
  116 3.61 36
//