ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001481
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$NAME: HEXYLALDEHYDE
CH$NAME: HEXANAL
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-65f52440a5d20229be6c
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  14 1.12 11
  15 6.05 61
  26 4.46 45
  27 53.64 536
  28 12.21 122
  29 46.32 463
  30 2.39 24
  31 3.42 34
  37 1.26 13
  38 2.81 28
  39 30.27 303
  40 5.12 51
  41 80.63 806
  42 13.22 132
  43 60.75 608
  44 99.99 999
  45 20.53 205
  50 1.44 14
  51 2.04 20
  53 3.81 38
  54 2.92 29
  55 16.06 161
  56 78.8 788
  57 33.88 339
  58 8.31 83
  67 8.72 87
  69 1.59 16
  71 6.16 62
  72 17.03 170
  81 1.58 16
  82 12.64 126
  83 1.44 14
  100 1 10
//