ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009326
RECORD_TITLE: OCTYLALDEHYDE; 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$NAME: OCTYLALDEHYDE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-000x-9000000000-70ec440a61fb95915131
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 2.5 25
  28 2.7 27
  29 15.9 159
  41 2.91 29
  42 34.8 348
  43 99.99 999
  44 93 930
  45 2.77 28
  53 1.1 11
  54 7.7 77
  55 43 430
  56 8.3 83
  57 52.5 525
  58 6.4 64
  59 1.1 11
  60 0.3 3
  66 4.8 48
  67 19.3 193
  68 33 330
  69 3.43 34
  70 5 50
  71 12.7 127
  72 12.7 127
  73 0.14 1
  80 1.1 11
  81 27 270
  82 29.5 295
  83 0.39 4
  84 83 830
  85 26.8 268
  86 3.9 39
  95 1 10
  97 1.1 11
  99 4.3 43
  100 15 150
  101 0.16 2
  109 1.4 14
  110 14.8 148
  111 1.6 16
  128 1.8 18
//