MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005182

PROPYL PROPIONATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005182
RECORD_TITLE: PROPYL 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$NAME: PROPYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCCOC(=O)CC
CH$IUPAC: InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
CH$LINK: INCHIKEY MCSINKKTEDDPNK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4042337

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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$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-014i-1900000000-d4267491a41a351ccb29
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  75 16.55 166
  115 1.8 18
  117 99.99 999
  118 7.56 76
//