ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007046
RECORD_TITLE: 2-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$NAME: 2-UNDECANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O
CH$EXACT_MASS: 170.16707
CH$SMILES: CCCCCCCCCC(C)=O
CH$IUPAC: InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
CH$LINK: INCHIKEY KYWIYKKSMDLRDC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021943

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$SPLASH: splash10-0a4l-9000000000-0b50ecd5a4e139569f95
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 2.18 22
  27 11.31 113
  28 2.63 26
  29 15.19 152
  39 7.25 73
  41 24.76 248
  42 6.16 62
  43 89.28 893
  44 1.83 18
  53 1.71 17
  54 1.28 13
  55 9.8 98
  56 2.89 29
  57 9.84 98
  58 99.99 999
  59 28.98 290
  67 1.58 16
  68 1.32 13
  69 2.73 27
  70 2.56 26
  71 27.06 271
  72 1.57 16
  81 1.64 16
  82 1.94 19
  83 1.84 18
  84 1.03 10
  85 5.55 56
  95 1.31 13
  96 1.11 11
  110 2.4 24
  112 2.95 30
  127 1.14 11
  155 1.08 11
  170 2.81 28
//