MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006531

GERANYL VALERATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006531
RECORD_TITLE: GERANYL VALERATE; 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$NAME: GERANYL VALERATE
CH$NAME: 3,7-DIMETHYL-2,6-OCTADIENYL PENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H26O2
CH$EXACT_MASS: 238.19328
CH$SMILES: CCCCC(=O)OCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11+
CH$LINK: INCHIKEY CVSWGLSBJFKWMW-SDNWHVSQSA-N
CH$LINK: COMPTOX DTXSID30883126

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$SPLASH: splash10-014l-9100000000-f157fa9066566c1aec77
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 6.27 63
  28 1.66 17
  29 14.01 140
  39 7.71 77
  40 2.39 24
  41 50.73 507
  42 2.71 27
  43 3.24 32
  53 8.64 86
  55 6.95 70
  57 31.16 312
  58 1.24 12
  65 1.2 12
  66 1.05 11
  67 11.23 112
  68 55.06 551
  69 99.99 999
  70 5.46 55
  77 1.57 16
  79 2.62 26
  80 16.8 168
  81 8.42 84
  82 1.13 11
  84 1.41 14
  85 41.21 412
  86 1.94 19
  91 1.52 15
  92 8.26 83
  93 37.74 377
  94 7.15 72
  95 2.09 21
  107 6.15 62
  108 1.78 18
  121 19.9 199
  122 1.73 17
  123 2.53 25
  136 16.99 170
  137 2.56 26
  154 1.48 15
  169 1.03 10
//

Imprint Feedback
system version 2.2.7

Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium

Responsible: Hannes Bohring

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.

de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo