MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007063

METHYL ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007063
RECORD_TITLE: METHYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: METHYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₆O₂
CH$EXACT_MASS: 74.03678
CH$SMILES: COC(C)=O
CH$IUPAC: InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
CH$LINK: CAS 79-20-9
CH$LINK: INCHIKEY KXKVLQRXCPHEJC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021767

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AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-8e16bef1c0d338a20817
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  14 3.96 40
  15 22.79 228
  29 7.89 79
  30 1.04 10
  31 2.05 21
  41 1.03 10
  42 10.25 103
  43 99.99 999
  44 2.23 22
  45 1.04 10
  59 6.94 69
  74 19.3 193
//