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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008770

DODECANAL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008770
RECORD_TITLE: DODECANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
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$LINK: CAS 112-54-9
CH$LINK: INCHIKEY HFJRKMMYBMWEAD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021589

AC$INSTRUMENT: HP 5970
AC$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$SPLASH: splash10-052f-9000000000-d6c6fff4af8756f0fdb0
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  39 29.53 295
  41 99.99 999
  42 26.25 263
  43 78.93 789
  44 34.89 349
  45 10.4 104
  53 7.48 75
  54 12.56 126
  55 66.69 667
  56 37.55 376
  57 77.67 777
  58 4.34 43
  66 7.32 73
  67 35.75 358
  68 33.76 338
  69 30.85 309
  70 24.25 243
  71 27.28 273
  72 6.25 63
  80 3.57 36
  81 28.42 284
  82 44.35 444
  83 20.69 207
  84 10.32 103
  85 14.07 141
  95 19.45 195
  96 22.83 228
  97 13.35 134
  98 6.54 65
  109 8.26 83
  110 13.43 134
  111 7.48 75
  123 4.06 41
  124 4.22 42
  138 5.56 56
  140 7.19 72
//

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