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MassBank Record: JP009796

1,10-DECANEDIOL; EI-B; MS

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

ACCESSION: JP009796
RECORD_TITLE: 1,10-DECANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 1,10-DECANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H22O2
CH$EXACT_MASS: 174.16198
CH$SMILES: OCCCCCCCCCCO
CH$IUPAC: InChI=1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2
CH$LINK: INCHIKEY FOTKYAAJKYLFFN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3059420

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-067i-9000000000-510f20afc116b1789722
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 10.5 105
  29 20.6 206
  31 27.6 276
  39 1.13 11
  41 66.5 665
  42 20.6 206
  43 29 290
  44 0.55 6
  45 5.6 56
  53 5.7 57
  54 43.9 439
  55 99.99 999
  56 29.4 294
  57 24.3 243
  58 3.5 35
  66 1.05 11
  67 80.3 803
  68 88.4 884
  69 52.6 526
  70 2.28 23
  71 16.3 163
  72 2.9 29
  73 4.8 48
  79 0.46 5
  81 60.2 602
  82 70 700
  83 27 270
  84 1.17 12
  85 8.6 86
  95 38.8 388
  96 27.2 272
  97 1.81 18
  98 8.8 88
  99 4.6 46
  109 16.6 166
  110 1.49 15
  126 3.3 33
//

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