ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008769
RECORD_TITLE: UNDECANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: UNDECANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O
CH$EXACT_MASS: 170.16707
CH$SMILES: CCCCCCCCCCC=O
CH$IUPAC: InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
CH$LINK: CAS 112-45-8
CH$LINK: INCHIKEY KMPQYAYAQWNLME-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021688

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$SPLASH: splash10-052f-9000000000-0e1bd3711b82727e6689
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  39 31.9 319
  40 7.92 79
  41 99.99 999
  42 24.48 245
  43 94.19 942
  44 38.09 381
  45 16.86 169
  46 3.89 39
  51 3.12 31
  53 10.52 105
  54 15.1 151
  55 56.83 568
  56 34.81 348
  57 70.05 701
  58 4.95 50
  66 6.83 68
  67 30.37 304
  68 38.93 389
  69 27.08 271
  70 22.86 229
  71 32.25 323
  72 7.85 79
  81 23.36 234
  82 45.21 452
  83 16.91 169
  84 13.83 138
  85 13.68 137
  95 17.96 180
  96 21.64 216
  97 16.45 165
  98 7.94 79
  109 7.02 70
  110 6.94 69
  123 4.73 47
  124 5.98 60
  126 9.34 93
//