MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010901

TRANS-2-HEXENYL 2-ETHYLBUTYRATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010901
RECORD_TITLE: TRANS-2-HEXENYL 2-ETHYLBUTYRATE; 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$NAME: TRANS-2-HEXENYL 2-ETHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O2
CH$EXACT_MASS: 198.16198
CH$SMILES: CCCC=CCOC(=O)C(CC)CC
CH$IUPAC: InChI=1S/C12H22O2/c1-4-7-8-9-10-14-12(13)11(5-2)6-3/h8-9,11H,4-7,10H2,1-3H3/b9-8+
CH$LINK: INCHIKEY GWLMOEWFTARWTG-CMDGGOBGSA-N

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$SPLASH: splash10-0596-9000000000-c847e2996f9f2ff9ba29
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 16.2 162
  29 18.4 184
  39 14.1 141
  41 43.3 433
  42 5.5 55
  43 62.7 627
  44 1.6 16
  53 5.3 53
  54 9.8 98
  55 53 530
  56 4 40
  57 6.6 66
  67 16.2 162
  68 1.1 11
  69 2.2 22
  70 1.9 19
  71 99.99 999
  72 6.2 62
  81 1.9 19
  82 14.4 144
  83 30.8 308
  84 2.1 21
  87 1.3 13
  88 1.5 15
  99 35.4 354
  100 2.3 23
  117 1.6 16
  169 1.7 17
  198 2.4 24
//

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