MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006390

PROPYL PROPIONATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006390
RECORD_TITLE: PROPYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU 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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-056r-9000000000-9a4b5d04bf6b06ff65da
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 1.89 19
  26 4.75 48
  27 31.9 319
  28 9.78 98
  29 49.79 498
  30 2.01 20
  31 6.49 65
  39 5.72 57
  40 1.06 11
  41 14.85 149
  42 10.41 104
  43 27.1 271
  55 1.11 11
  56 1.75 18
  57 99.99 999
  58 3.78 38
  59 5.76 58
  74 2.65 27
  75 35.02 350
  76 1.07 11
  87 6.58 66
//