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MassBank Record: JP007315

1,10-DECANEDIOL; EI-B; MS

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

ACCESSION: JP007315
RECORD_TITLE: 1,10-DECANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$LINK: CAS 112-47-0
CH$LINK: INCHIKEY FOTKYAAJKYLFFN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3059420

AC$INSTRUMENT: ESCO EMD-05A
AC$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$SPLASH: splash10-0apl-9000000000-18ef7d3c11ed477de740
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  27 38.54 385
  28 2.27 23
  29 25.84 258
  30 2.55 26
  31 98.91 989
  40 16.25 163
  41 6.62 66
  42 90.47 905
  43 13.01 130
  44 16.23 162
  45 3.68 37
  46 4.92 49
  54 12 120
  55 68.06 681
  56 99.99 999
  57 19.22 192
  58 26.2 262
  64 1.75 18
  65 6.05 61
  66 30.47 305
  67 49.43 494
  68 69.84 698
  69 24.73 247
  70 18.86 189
  71 2.27 23
  73 2.91 29
  80 3.27 33
  81 2.19 22
  82 46.47 465
  83 36.37 364
  84 16.98 170
  85 9.84 98
  86 6.34 63
  87 1.55 16
  94 1.13 11
  95 38.82 388
  96 40.83 408
  97 17.41 174
  98 4.3 43
  99 3.86 39
  109 11.49 115
  110 16.69 167
  111 2.29 23
  113 2.19 22
  126 4.51 45
  138 1.24 12
  174 3.22 32
//

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