MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008080

ALLYL ALCOHOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008080
RECORD_TITLE: ALLYL ALCOHOL; 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$NAME: ALLYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₆O
CH$EXACT_MASS: 58.04186
CH$SMILES: C=CCO
CH$IUPAC: InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
CH$LINK: INCHIKEY XXROGKLTLUQVRX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8020044

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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$SPLASH: splash10-0a4i-9000000000-4d05af9aa9115ca820bc
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  15 1.22 12
  26 1.84 18
  27 13.34 133
  28 15.91 159
  29 29.99 300
  30 15.42 154
  31 31.58 316
  39 18.24 182
  40 9.18 92
  41 6.24 62
  43 4.77 48
  45 1.96 20
  55 3.67 37
  56 1.71 17
  57 99.99 999
  58 37.09 371
  59 2.69 27
//