ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001860
RECORD_TITLE: 3-PENTADECANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA

CH$NAME: 3-PENTADECANONE
CH$NAME: DODECYL ETHYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀O
CH$EXACT_MASS: 226.22967
CH$SMILES: CCCCCCCCCCCCC(=O)CC
CH$IUPAC: InChI=1S/C15H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h3-14H2,1-2H3
CH$LINK: INCHIKEY YELXTWKVTZTDCM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80338030

AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-0596-9000000000-13c3914d726903a9778a
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  41 52.8 528
  42 11.9 119
  43 72.5 725
  44 2.1 21
  53 2.8 28
  54 2.6 26
  55 26.5 265
  56 7.5 75
  57 99.99 999
  58 3.7 37
  67 4.4 44
  68 1.5 15
  69 7.2 72
  70 2.3 23
  71 16.6 166
  72 76.6 766
  73 31.4 314
  74 1.4 14
  81 3.5 35
  82 1.4 14
  83 4 40
  84 1.4 14
  85 19.2 192
  86 1.6 16
  95 4.8 48
  96 2 20
  97 3.5 35
  98 1.1 11
  99 3 30
  109 2.6 26
  110 1.1 11
  114 1.3 13
  123 1.5 15
  153 1 10
  197 13.4 134
  198 1.8 18
//