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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010892

DECYL ISOVALERATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010892
RECORD_TITLE: DECYL ISOVALERATE; 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$NAME: DECYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H30O2
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCCCCOC(=O)CC(C)C
CH$IUPAC: InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h14H,4-13H2,1-3H3
CH$LINK: INCHIKEY VKGHOXUAAAZEBE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20868205

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$SPLASH: splash10-0pbc-9200000000-6302b1c7fb49f5df5b2e
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  27 15.5 155
  28 2.8 28
  29 35.9 359
  31 1.6 16
  39 10.6 106
  40 3.1 31
  41 75 750
  42 21.2 212
  43 73.2 732
  44 2.5 25
  45 2 20
  53 3.3 33
  54 4.3 43
  55 46.9 469
  56 40.3 403
  57 96.4 964
  58 3.7 37
  59 3.8 38
  60 6.2 62
  61 11.6 116
  67 4.5 45
  68 8 80
  69 27.6 276
  70 37.1 371
  71 16.9 169
  72 1.4 14
  81 1.9 19
  82 10.4 104
  83 29.3 293
  84 22 220
  85 73.9 739
  86 3.4 34
  99 1.6 16
  100 1.2 12
  101 1.4 14
  102 7.1 71
  103 99.99 999
  104 5.4 54
  110 2.1 21
  111 10.5 105
  112 17.1 171
  113 1.6 16
  115 1.1 11
  116 1 10
  140 34.7 347
  141 3.2 32
  158 2.4 24
  185 2 20
//

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