MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003401

4-METHYL-1,3-DIOXOLANE-2-ONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003401
RECORD_TITLE: 4-METHYL-1,3-DIOXOLANE-2-ONE; 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$NAME: 4-METHYL-1,3-DIOXOLANE-2-ONE
CH$NAME: PROPYLENE CARBONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₆O₃
CH$EXACT_MASS: 102.03169
CH$SMILES: CC(C1)OC(=O)O1
CH$IUPAC: InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3
CH$LINK: INCHIKEY RUOJZAUFBMNUDX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2026789

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AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4l-9000000000-18e02e495db2291267aa
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  43 93.9 939
  44 6.9 69
  45 3.5 35
  56 99.99 999
  57 9.2 92
  58 7.4 74
  87 9.6 96
  102 0.67 7
  103 11.9 119
//