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MassBank Record: JP006869

HEXADECANOL; EI-B; MS

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

ACCESSION: JP006869
RECORD_TITLE: HEXADECANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: HEXADECANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H34O
CH$EXACT_MASS: 242.26097
CH$SMILES: CCCCCCCCCCCCCCCCO
CH$IUPAC: InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
CH$LINK: INCHIKEY BXWNKGSJHAJOGX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4027991

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$SPLASH: splash10-0a4l-9000000000-1be6f87af09f0bc4339f
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 16.93 169
  29 31.17 312
  31 25.97 260
  39 10.94 109
  41 81.58 816
  42 20.85 209
  43 97.22 972
  44 6.54 65
  45 1.12 11
  53 3.79 38
  54 10.8 108
  55 99.99 999
  56 48.33 483
  57 73.27 733
  58 3.87 39
  67 14.44 144
  68 31.57 316
  69 72.53 725
  70 43.51 435
  71 30.2 302
  73 1.48 15
  81 7.62 76
  82 32.72 327
  83 76.38 764
  84 29.21 292
  85 15.64 156
  95 1.71 17
  96 11.73 117
  97 50.94 509
  98 18.86 189
  99 1.58 16
  110 4.12 41
  111 24.98 250
  112 11.01 110
  125 11.28 113
  126 6.14 61
  139 1.73 17
  140 2.56 26
  154 1.92 19
//

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