ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009324
RECORD_TITLE: HEXYLALDEHYDE; 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$NAME: HEXYLALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O
CH$EXACT_MASS: 100.08882
CH$SMILES: CCCCCC=O
CH$IUPAC: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
CH$LINK: INCHIKEY JARKCYVAAOWBJS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021604

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052f-9000000000-98fd24ab2b6d3d9cf3cf
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 5.6 56
  28 3.5 35
  29 16.8 168
  30 0.12 1
  31 1.1 11
  40 1.2 12
  41 37.3 373
  42 0.59 6
  43 44.8 448
  44 99.99 999
  45 20.9 209
  54 0.19 2
  55 8.8 88
  56 90.6 906
  57 31.5 315
  58 0.99 10
  60 1.3 13
  67 9 90
  69 1.3 13
  71 0.67 7
  72 21.8 218
  73 1.2 12
  81 1.2 12
  82 1.57 16
  83 1.6 16
  100 1.3 13
//