ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008682
RECORD_TITLE: OCTANAL; 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$NAME: OCTANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O
CH$EXACT_MASS: 128.12012
CH$SMILES: CCCCCCCC=O
CH$IUPAC: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
CH$LINK: INCHIKEY NUJGJRNETVAIRJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021643

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$SPLASH: splash10-052f-9000000000-5116ccc02f51ccb0e86a
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  15 3.66 37
  26 3.52 35
  27 59.32 593
  28 12.84 128
  29 66.79 668
  30 1.6 16
  31 2.19 22
  38 1.81 18
  39 40.07 401
  40 4.5 45
  41 99.99 999
  42 43.42 434
  43 98.48 985
  44 77.89 779
  45 19.45 195
  51 2.17 22
  52 1.2 12
  53 6.42 64
  54 7.63 76
  55 56.51 565
  56 63.84 638
  57 63.6 636
  58 4.78 48
  65 1.17 12
  66 3.19 32
  67 14.83 148
  68 24.45 245
  69 27.65 277
  70 2.89 29
  71 8.52 85
  72 6.11 61
  79 1.13 11
  81 19.84 198
  82 21.17 212
  83 2.19 22
  84 51.69 517
  85 13.48 135
  86 2.12 21
  95 5.58 56
  99 2.6 26
  100 9.65 97
  110 7.52 75
//