MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009321

ISOBUTYLALDEHYDE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009321
RECORD_TITLE: ISOBUTYLALDEHYDE; 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$NAME: ISOBUTYLALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈O
CH$EXACT_MASS: 72.05751
CH$SMILES: O=CC(C)C
CH$IUPAC: InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
CH$LINK: INCHIKEY AMIMRNSIRUDHCM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9021635

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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$SPLASH: splash10-0006-9000000000-1fed4d315b146112b21e
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  27 21.9 219
  28 6.8 68
  29 15 150
  39 0.24 2
  41 44.1 441
  42 6.4 64
  43 99.99 999
  44 0.45 5
  45 0.9 9
  55 3.2 32
  56 4.6 46
  57 0.75 8
  71 9.5 95
  72 55.9 559
  73 6.2 62
//