MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005963

METHYL PROPIONATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005963
RECORD_TITLE: METHYL PROPIONATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: METHYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈O₂
CH$EXACT_MASS: 88.05243
CH$SMILES: CCC(=O)OC
CH$IUPAC: InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
CH$LINK: INCHIKEY RJUFJBKOKNCXHH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7027201

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-000i-9000000000-a03067fbd0651bec342e
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  87 16.85 169
  88 81.91 819
  89 99.99 999
  90 5.38 54
//