MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011051

ACROLEIN; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011051
RECORD_TITLE: ACROLEIN; 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$NAME: ACROLEIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₄O
CH$EXACT_MASS: 56.02621
CH$SMILES: C=CC=O
CH$IUPAC: InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
CH$LINK: CAS 107-02-8
CH$LINK: INCHIKEY HGINCPLSRVDWNT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5020023

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AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-004i-9000000000-a667e77a9d666459b411
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  13 1.25 13
  14 1.34 13
  24 1.24 12
  25 7.4 74
  26 62.29 623
  27 99.99 999
  28 36.07 361
  29 42.18 422
  30 1.07 11
  36 1.03 10
  37 4.33 43
  38 4.85 49
  39 6.19 62
  53 3.2 32
  55 31.55 316
  56 38.69 387
  57 4.29 43
//