ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007053
RECORD_TITLE: 2-TRIDECANONE; 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$NAME: 2-TRIDECANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₆O
CH$EXACT_MASS: 198.19837
CH$SMILES: CCCCCCCCCCCC(C)=O
CH$IUPAC: InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3
CH$LINK: INCHIKEY CYIFVRUOHKNECG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4022070

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$SPLASH: splash10-0a4l-9000000000-f27d8cbcbb2a9eea32df
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  15 1.47 15
  27 8.02 80
  29 13.74 137
  39 5.55 56
  41 24.02 240
  42 5.77 58
  43 77.98 780
  44 1.86 19
  53 1.6 16
  54 1.48 15
  55 13.3 133
  56 4.48 45
  57 13.76 138
  58 99.99 999
  59 38.2 382
  60 1.32 13
  67 2.04 20
  68 1.36 14
  69 3.29 33
  70 2.33 23
  71 31.68 317
  72 1.83 18
  81 1.68 17
  82 3.09 31
  83 2.18 22
  84 1.54 15
  85 7.49 75
  95 1.89 19
  96 2.96 30
  97 2.2 22
  110 1.32 13
  111 1.23 12
  127 1.18 12
  138 2.28 23
  140 3.31 33
  183 1.24 12
  198 3.09 31
//