ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007047
RECORD_TITLE: 3-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$NAME: 3-UNDECANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O
CH$EXACT_MASS: 170.16707
CH$SMILES: CCCCCCCCC(=O)CC
CH$IUPAC: InChI=1S/C11H22O/c1-3-5-6-7-8-9-10-11(12)4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY YNMZZHPSYMOGCI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20176695

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$SPLASH: splash10-05i3-9000000000-f0ca7f5c1ff3fa97a13e
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  26 1.1 11
  27 24.03 240
  28 1.76 18
  29 61.02 610
  30 1.21 12
  39 10.92 109
  41 35.58 356
  42 8.5 85
  43 47.13 471
  44 1.26 13
  53 2.49 25
  54 1.61 16
  55 17.17 172
  56 4.61 46
  57 99.99 999
  58 3.21 32
  67 3.5 35
  68 1.15 12
  69 2.74 27
  70 1.13 11
  71 32.76 328
  72 88.46 885
  73 19.29 193
  81 4.56 46
  83 1.09 11
  85 15.55 156
  86 1 10
  96 2.19 22
  98 1.16 12
  99 1.72 17
  123 1.6 16
  141 26.81 268
  142 2.14 21
  170 2.4 24
//