ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008677
RECORD_TITLE: HEXANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-052f-9000000000-89f4d5edf8639a778ef4
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 4.45 45
  26 4.87 49
  27 53.04 530
  28 6.12 61
  29 47.33 473
  30 1.42 14
  31 1.95 20
  37 1.16 12
  38 2.61 26
  39 37.8 378
  40 4.67 47
  41 83.43 834
  42 15.06 151
  43 59.64 596
  44 99.99 999
  45 20.35 204
  50 1.36 14
  51 1.69 17
  53 3.27 33
  54 2.88 29
  55 16.92 169
  56 83.13 831
  57 52.43 524
  58 9.28 93
  67 10.77 108
  69 1.25 13
  71 8.25 83
  72 20.55 206
  81 1.41 14
  82 15.37 154
  83 1.52 15
//