ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007049
RECORD_TITLE: 5-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$NAME: 5-UNDECANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O
CH$EXACT_MASS: 170.16707
CH$SMILES: CCCCCCC(=O)CCCC
CH$IUPAC: InChI=1S/C11H22O/c1-3-5-7-8-10-11(12)9-6-4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY WENNKWXPAWNIOO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70186744

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$SPLASH: splash10-0a4l-9100000000-699fb7c1dbc49f9c103e
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 1.1 11
  26 1.5 15
  27 28.38 284
  28 6.37 64
  29 52.11 521
  39 15.29 153
  41 56.86 569
  42 10.09 101
  43 86.34 863
  44 2.38 24
  53 2.85 29
  55 15.8 158
  56 3.98 40
  57 72.89 729
  58 99.99 999
  59 11.68 117
  67 1.48 15
  68 3.76 38
  69 3.07 31
  70 1.78 18
  71 18.93 189
  72 5.43 54
  81 1.06 11
  83 1.04 10
  84 1.06 11
  85 66.51 665
  86 4.91 49
  95 2.4 24
  100 10.73 107
  101 3.03 30
  113 41.71 417
  114 2.84 28
  128 3.49 35
  141 2.07 21
  170 2.56 26
//