ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008595
RECORD_TITLE: 2-HEXADECANONE; 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$NAME: 2-HEXADECANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₂O
CH$EXACT_MASS: 240.24532
CH$SMILES: CCCCCCCCCCCCCCC(C)=O
CH$IUPAC: InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3
CH$LINK: INCHIKEY XCXKZBWAKKPFCJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10172101

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$SPLASH: splash10-0a4l-9000000000-5d631cf5b1a8da2be734
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  15 1.09 11
  27 6.05 61
  29 13.54 135
  39 4.02 40
  41 27.2 272
  42 5.28 53
  43 78.09 781
  44 1.51 15
  53 1.3 13
  54 1.76 18
  55 16.33 163
  56 4.82 48
  57 15.91 159
  58 99.99 999
  59 52.42 524
  60 1.62 16
  67 2.5 25
  68 1.94 19
  69 6.8 68
  70 2.44 24
  71 33.9 339
  72 1.94 19
  81 2.12 21
  82 5.48 55
  83 4.27 43
  84 1.47 15
  85 8.01 80
  95 2 20
  96 4.6 46
  97 2.58 26
  100 1.06 11
  109 1.12 11
  110 1.27 13
  111 1.16 12
  113 1.04 10
  127 1.22 12
  180 1.37 14
  182 1.9 19
  240 2.38 24
//