MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006847

TRANS-3-HEXENOL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006847
RECORD_TITLE: TRANS-3-HEXENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: TRANS-3-HEXENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O
CH$EXACT_MASS: 100.08882
CH$SMILES: CCC=CCCO
CH$IUPAC: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+
CH$LINK: INCHIKEY UFLHIIWVXFIJGU-ONEGZZNKSA-N
CH$LINK: COMPTOX DTXSID1022138

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$SPLASH: splash10-00kf-9000000000-5205dfcd839a24c16b1e
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 2.27 23
  26 2.36 24
  27 22.24 222
  29 13.31 133
  30 1.19 12
  31 26.3 263
  38 2.7 27
  39 29.88 299
  40 3.88 39
  41 99.99 999
  42 21.27 213
  43 8.98 90
  44 6.71 67
  45 2.11 21
  50 2.2 22
  51 3.37 34
  52 1.32 13
  53 9.29 93
  54 8.41 84
  55 34.95 350
  56 4.67 47
  57 10.83 108
  65 1.97 20
  66 1.17 12
  67 50.38 504
  68 5.11 51
  69 38.26 383
  70 11.03 110
  71 1.78 18
  72 2.66 27
  79 1.09 11
  81 3.32 33
  82 33.56 336
  83 3.08 31
  100 2.06 21
//

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