ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007048
RECORD_TITLE: 4-UNDECANONE; 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$NAME: 4-UNDECANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O
CH$EXACT_MASS: 170.16707
CH$SMILES: CCCCCCCC(=O)CCC
CH$IUPAC: InChI=1S/C11H22O/c1-3-5-6-7-8-10-11(12)9-4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY NBSLHMOSERBUOV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00162798

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$SPLASH: splash10-0a6u-9000000000-46499d5c3619d07f2974
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 1.15 12
  26 1.04 10
  27 30.97 310
  28 1.36 14
  29 24.51 245
  39 14.28 143
  40 1.4 14
  41 52.7 527
  42 11.26 113
  43 99.99 999
  44 2.46 25
  53 2.17 22
  54 1.1 11
  55 16.45 165
  56 2.37 24
  57 83.98 840
  58 71.51 715
  59 2.74 27
  67 2.66 27
  69 2.02 20
  70 2.07 21
  71 74.14 741
  72 2.76 28
  82 1.36 14
  83 1.41 14
  86 43.77 438
  87 10.54 105
  99 12.45 125
  109 2.98 30
  127 33.92 339
  128 3.12 31
  170 3 30
//