ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001478
RECORD_TITLE: ISOBUTYRALDEHYDE; 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

CH$NAME: ISOBUTYRALDEHYDE
CH$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

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-002f-9000000000-987cd15323d99af9f551
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  14 1.19 12
  15 4.58 46
  26 6.51 65
  27 57.71 577
  28 12.64 126
  29 22.31 223
  31 1.52 15
  37 2.95 30
  38 5.11 51
  39 24.19 242
  40 3.11 31
  41 71.52 715
  42 9.14 91
  43 99.99 999
  44 4.13 41
  55 1.57 16
  57 3.21 32
  72 37.06 371
  73 2.59 26
//