MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006852

CIS-3-HEPTENOL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006852
RECORD_TITLE: CIS-3-HEPTENOL; 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$NAME: CIS-3-HEPTENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O
CH$EXACT_MASS: 114.10447
CH$SMILES: CCCC=CCCO
CH$IUPAC: InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h4-5,8H,2-3,6-7H2,1H3/b5-4-
CH$LINK: INCHIKEY SDZQUCJFTUULJX-PLNGDYQASA-N
CH$LINK: COMPTOX DTXSID90883743

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$SPLASH: splash10-0563-9000000000-b1039fa2c66d3083a830
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  15 1.52 15
  26 2.07 21
  27 29.67 297
  28 3.1 31
  29 26.57 266
  31 34.2 342
  38 2.07 21
  39 34.06 341
  40 3.69 37
  41 79.52 795
  42 22.12 221
  43 17.9 179
  44 7.75 78
  45 1.82 18
  50 1.95 20
  51 3.99 40
  52 2.07 21
  53 14.55 146
  54 31.98 320
  55 99.99 999
  56 17.01 170
  57 15.11 151
  58 1.6 16
  65 2.47 25
  66 1.94 19
  67 31 310
  68 21.63 216
  69 11.04 110
  70 4.04 40
  71 2.75 28
  77 1.37 14
  79 3.07 31
  81 75.08 751
  82 5.06 51
  83 5.07 51
  84 1.86 19
  86 2.79 28
  95 2.68 27
  96 20.78 208
  97 1.64 16
  114 2.75 28
//

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