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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006438

BENZYL OCTANOATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006438
RECORD_TITLE: BENZYL OCTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: BENZYL OCTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22O2
CH$EXACT_MASS: 234.16198
CH$SMILES: CCCCCCCC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C15H22O2/c1-2-3-4-5-9-12-15(16)17-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3
CH$LINK: INCHIKEY MWQWCHLIPMDVLS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30145493

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$SPLASH: splash10-052f-9300000000-bcfcb7c152aa41154ff4
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 6.47 65
  29 8.37 84
  39 6.97 70
  41 15.92 159
  42 3.69 37
  43 13.33 133
  51 2.59 26
  53 1.04 10
  55 11.13 111
  56 1.38 14
  57 27.03 270
  58 1.01 10
  63 1.46 15
  65 10.4 104
  67 1.1 11
  69 1.28 13
  77 6.49 65
  78 1.34 13
  79 6.06 61
  83 8.14 81
  89 2.82 28
  90 9.15 92
  91 99.99 999
  92 22.9 229
  93 1.22 12
  97 7.44 74
  105 2.01 20
  107 6.23 62
  108 58.45 585
  109 5.25 53
  124 1.27 13
  125 9.95 100
  127 10.82 108
  143 7.96 80
  234 4.44 44
//

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