ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007149
RECORD_TITLE: VALEROPHENONE; 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$NAME: VALEROPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O
CH$EXACT_MASS: 162.10447
CH$SMILES: CCCCC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
CH$LINK: CAS 1009-14-9
CH$LINK: INCHIKEY XKGLSKVNOSHTAD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0061406

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$SPLASH: splash10-0a6r-6900000000-19cf24e12d8e892de5bf
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 7.17 72
  29 6.3 63
  39 3.84 38
  41 3.38 34
  50 4.66 47
  51 18.19 182
  52 1.3 13
  55 2.21 22
  57 1.1 11
  74 1.09 11
  76 1.98 20
  77 52.11 521
  78 7.5 75
  91 1.48 15
  105 99.99 999
  106 7.7 77
  120 43 430
  121 3.08 31
  133 2.21 22
  162 5.45 55
//