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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008690

DODECANAL; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008690
RECORD_TITLE: DODECANAL; 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$NAME: DODECANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H24O
CH$EXACT_MASS: 184.18272
CH$SMILES: CCCCCCCCCCCC=O
CH$IUPAC: InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3
CH$LINK: INCHIKEY HFJRKMMYBMWEAD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021589

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$SPLASH: splash10-052f-9000000000-7f7646c6c5dfd05b37e1
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  15 1.45 15
  26 1.46 15
  27 34.88 349
  28 3.77 38
  29 58.16 582
  30 1.17 12
  31 1.57 16
  39 23.12 231
  40 2.14 21
  41 99.99 999
  42 24.32 243
  43 98.31 983
  44 43.05 431
  45 14.59 146
  53 6.63 66
  54 16.42 164
  55 67.69 677
  56 38.45 385
  57 82.36 824
  58 4.71 47
  66 5.79 58
  67 32.91 329
  68 40.09 401
  69 37.6 376
  70 28.2 282
  71 27.11 271
  72 6.29 63
  79 2.16 22
  80 1.45 15
  81 26.54 265
  82 52.61 526
  83 25.46 255
  84 13.72 137
  85 16.04 160
  86 1.5 15
  94 1.15 12
  95 22.19 222
  96 28.21 282
  97 15.41 154
  98 7.52 75
  99 3.8 38
  109 9.07 91
  110 10.22 102
  111 6.43 64
  112 3.77 38
  123 3.93 39
  124 3.71 37
  137 1.97 20
  138 5.84 58
  140 10.48 105
  141 1.5 15
  156 1.9 19
  166 1.77 18
//

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