MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009320

BUTYLALDEHYDE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009320
RECORD_TITLE: BUTYLALDEHYDE; 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$NAME: BUTYLALDEHYDE
CH$NAME: BUTANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈O
CH$EXACT_MASS: 72.05751
CH$SMILES: CCCC=O
CH$IUPAC: InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
CH$LINK: COMPTOX DTXSID8021513
CH$LINK: INCHIKEY ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:261

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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$SPLASH: splash10-0006-9000000000-68ac34ab9def2e36ccc6
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  27 30 300
  28 13.3 133
  29 42.1 421
  30 0.14 1
  31 1.7 17
  39 3.3 33
  41 40.5 405
  42 0.64 6
  43 67.1 671
  44 99.99 999
  45 2.9 29
  54 0.24 2
  57 22.4 224
  58 1 10
  60 1.7 17
  71 0.57 6
  72 68.6 686
  73 3.3 33
//