ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006939
RECORD_TITLE: 3-HEXADECANONE; 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$NAME: 3-HEXADECANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₂O
CH$EXACT_MASS: 240.24532
CH$SMILES: CCCCCCCCCCCCCC(=O)CC
CH$IUPAC: InChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h3-15H2,1-2H3
CH$LINK: INCHIKEY LTMXHUUHBSCKEK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4066412

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$SPLASH: splash10-05fr-9000000000-975661aba94df998e46f
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  27 10.63 106
  28 2.17 22
  29 43.93 439
  39 5.22 52
  41 36.04 360
  42 8.11 81
  43 44.65 447
  44 1.09 11
  53 2.09 21
  54 1.98 20
  55 22.62 226
  56 6.72 67
  57 82.24 822
  58 3.57 36
  67 4.06 41
  68 1.65 17
  69 10.17 102
  70 2.99 30
  71 19.68 197
  72 99.99 999
  73 42.13 421
  74 1.69 17
  81 3.89 39
  82 1.56 16
  83 5.54 55
  84 1.65 17
  85 27.51 275
  86 1.74 17
  95 6.15 62
  96 2.23 22
  97 3.78 38
  98 1.51 15
  99 4.21 42
  109 3.34 33
  110 1.27 13
  111 1.88 19
  114 1.7 17
  123 1.29 13
  166 1.63 16
  211 22.75 228
  212 3.36 34
  240 1.46 15
//