MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004221

2-OXOPENTANOIC ACID METHYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004221
RECORD_TITLE: 2-OXOPENTANOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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CH$NAME: 2-OXOPENTANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₃
CH$EXACT_MASS: 130.06299
CH$SMILES: CCCC(=O)C(=O)OC
CH$IUPAC: InChI=1S/C6H10O3/c1-3-4-5(7)6(8)9-2/h3-4H2,1-2H3
CH$LINK: INCHIKEY MBNLVYPIKSWXCT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40349001

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AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-006x-9000000000-96f59d5af3920d43daf5
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  38 3.2 32
  40 33.3 333
  41 5.6 56
  43 99.99 999
  44 2.3 23
  55 6.5 65
  69 1.9 19
  70 0.39 4
  71 87.5 875
  72 4.1 41
  130 8.4 84
//