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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008768

DECANAL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008768
RECORD_TITLE: DECANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: DECANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O
CH$EXACT_MASS: 156.15142
CH$SMILES: CCCCCCCCCC=O
CH$IUPAC: InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
CH$LINK: CAS 112-31-2
CH$LINK: INCHIKEY KSMVZQYAVGTKIV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021553

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$SPLASH: splash10-052f-9000000000-68c403b2d9fe194c1c55
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  39 34.46 345
  41 99.99 999
  42 29.68 297
  43 80.3 803
  44 43.28 433
  45 13.16 132
  51 1.36 14
  52 1.12 11
  53 7.91 79
  54 13.2 132
  55 56.91 569
  56 33.72 337
  57 71.08 711
  58 5 50
  65 1.57 16
  66 5.74 57
  67 25.91 259
  68 29.6 296
  69 22.19 222
  70 31.85 319
  71 30.08 301
  72 6.15 62
  77 0.9 9
  79 3.1 31
  80 2.07 21
  81 22.93 229
  82 31.59 316
  83 22.75 228
  84 10.16 102
  85 2.83 28
  95 14.88 149
  96 11.84 118
  97 3.87 39
  99 2.44 24
  100 1.22 12
  109 6.35 64
  110 9.06 91
  112 12.37 124
  113 1.86 19
  128 2.52 25
  138 1.23 12
//

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