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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008687

DECANAL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008687
RECORD_TITLE: DECANAL; 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$NAME: DECANAL
CH$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$LINK: INCHIKEY KSMVZQYAVGTKIV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021553

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$SPLASH: splash10-052f-9000000000-87164b5c9889aeaf6447
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  15 2.24 22
  26 1.98 20
  27 46.56 466
  29 62.7 627
  30 1.55 16
  31 1.5 15
  39 31.24 312
  40 4.1 41
  41 99.99 999
  42 32.06 321
  43 91.73 917
  44 52.86 529
  45 15.51 155
  51 1.54 15
  53 7.4 74
  54 15.28 153
  55 63.13 631
  56 38.27 383
  57 79.56 796
  58 5.34 53
  65 1.01 10
  66 3.8 38
  67 27.08 271
  68 36.52 365
  69 26.91 269
  70 41.86 419
  71 35.72 357
  72 6.53 65
  79 1.45 15
  80 1.13 11
  81 23.78 238
  82 35.24 352
  83 25.56 256
  84 13.79 138
  85 3.73 37
  86 1.36 14
  95 19.04 190
  96 16.01 160
  97 4.49 45
  99 2.34 23
  109 6.71 67
  110 14.43 144
  111 1.21 12
  112 23.89 239
  113 2.67 27
  128 4.22 42
  138 2.52 25
//

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