ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007050
RECORD_TITLE: 6-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$NAME: 6-UNDECANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O
CH$EXACT_MASS: 170.16707
CH$SMILES: CCCCCC(=O)CCCCC
CH$IUPAC: InChI=1S/C11H22O/c1-3-5-7-9-11(12)10-8-6-4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY ZPQAKYPOZRXKFA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5061295

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$SPLASH: splash10-052f-9000000000-4a5d3bb589e03dc4bf3b
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 23.34 233
  28 1.22 12
  29 32.24 322
  39 12.13 121
  40 1.17 12
  41 29.74 297
  42 10.74 107
  43 99.99 999
  44 2.64 26
  53 2.2 22
  55 13.89 139
  56 2.27 23
  57 3.32 33
  58 50.31 503
  59 13.61 136
  67 1.01 10
  69 1.16 12
  70 1.08 11
  71 54.33 543
  72 9.62 96
  81 1.37 14
  85 4.71 47
  99 47.46 475
  100 2.62 26
  114 5.79 58
  115 1.48 15
  127 4.22 42
  170 2.36 24
//