MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005178

PROPYL PROPIONATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005178
RECORD_TITLE: PROPYL PROPIONATE; EI-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$LINK: COMPTOX DTXSID4042337
CH$LINK: INCHIKEY MCSINKKTEDDPNK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7803

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AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4r-9000000000-34caa674731bfbd2ddb6
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  27 1.98 20
  29 17.42 174
  31 2.48 25
  41 4.64 46
  42 9.89 99
  43 21.38 214
  56 1.58 16
  57 99.99 999
  58 4.02 40
  59 6.67 67
  84 4.18 42
  85 57.36 574
  86 2.15 22
  96 1.08 11
  97 11.59 116
//