ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006938
RECORD_TITLE: 2-PENTADECANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 2-PENTADECANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀O
CH$EXACT_MASS: 226.22967
CH$SMILES: CCCCCCCCCCCCCC(C)=O
CH$IUPAC: InChI=1S/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3
CH$LINK: INCHIKEY CJPNOLIZCWDHJK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6062333

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$SPLASH: splash10-0a4l-9000000000-3fd5f39b5a24aa916a28
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  15 1.15 12
  27 6.93 69
  29 14 140
  39 4.79 48
  41 26.36 264
  42 5.82 58
  43 81.54 815
  44 1.56 16
  53 1.42 14
  54 1.75 18
  55 15.63 156
  56 4.7 47
  57 14.92 149
  58 99.99 999
  59 47.43 474
  60 1.45 15
  67 2.69 27
  68 1.65 17
  69 6.03 60
  70 2.53 25
  71 32.85 329
  72 1.71 17
  81 1.79 18
  82 4.99 50
  83 3.46 35
  84 1.44 14
  85 7.72 77
  95 1.92 19
  96 4.1 41
  97 2.32 23
  100 1.06 11
  110 1 10
  111 1.17 12
  127 1.08 11
  166 1.27 13
  168 2 20
  226 2.18 22
//