MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007106

ALLYL ALCOHOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007106
RECORD_TITLE: ALLYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: ALLYL ALCOHOL
CH$NAME: 2-PROPEN-1-OL
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: CAS 107-18-6
CH$LINK: INCHIKEY XXROGKLTLUQVRX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8020044

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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$SPLASH: splash10-0a6r-9000000000-50896c7e8c3df69a58ba
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  14 1.14 11
  15 1.7 17
  25 2.03 20
  26 12.63 126
  27 26.98 270
  28 12.57 126
  29 45.24 452
  30 14.06 141
  31 38.21 382
  37 5.24 52
  38 7.11 71
  39 31.7 317
  40 8.13 81
  41 6.03 60
  42 1.7 17
  43 4.94 49
  53 1.46 15
  55 5.52 55
  56 1.26 13
  57 99.99 999
  58 24.6 246
//