MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007001

P-CRESYL OCTANOATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007001
RECORD_TITLE: P-CRESYL OCTANOATE; 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$NAME: P-CRESYL OCTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22O2
CH$EXACT_MASS: 234.16198
CH$SMILES: CCCCCCCC(=O)Oc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C15H22O2/c1-3-4-5-6-7-8-15(16)17-14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3
CH$LINK: INCHIKEY ALRYNTSLFYRKGF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9052262

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$SPLASH: splash10-0a4i-5900000000-9a401aa2fda6f6734636
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 3.76 38
  29 4.23 42
  39 2.4 24
  41 8.86 89
  42 1.64 16
  43 9.47 95
  51 1.15 12
  53 1.48 15
  55 6.89 69
  57 21.52 215
  65 1.44 14
  77 5.33 53
  78 1.26 13
  79 2.08 21
  91 2.08 21
  107 8.26 83
  108 99.99 999
  109 10.05 101
  127 3.94 39
  234 3.48 35
//

system version 2.2.6-SNAPSHOT
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo