MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000947

ACROLEIN; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000947
RECORD_TITLE: ACROLEIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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CH$NAME: ACROLEIN
CH$NAME: 2-PROPENAL
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$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0a4i-9000000000-f6aba25388da7855f3eb
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  24 2.1 21
  25 8.3 83
  26 44.5 445
  27 6.62 66
  28 3.3 33
  29 37.7 377
  36 4 40
  37 1.13 11
  38 9.3 93
  39 7.1 71
  52 2.6 26
  53 0.86 9
  55 64.9 649
  56 99.99 999
  57 5.3 53
//