ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008699
RECORD_TITLE: METHOXYCITRONELLAL; 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$NAME: METHOXYCITRONELLAL
CH$NAME: 3,7-DIMETHYL-7-METHOXYOCTANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₂
CH$EXACT_MASS: 186.16198
CH$SMILES: O=CCC(C)CCCC(C)(C)OC
CH$IUPAC: InChI=1S/C11H22O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h9-10H,5-8H2,1-4H3
CH$LINK: INCHIKEY IDWULKZGRNHZNR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7038818

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$SPLASH: splash10-00di-9000000000-449028fc7b4e21f48c8d
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 2.79 28
  29 3.87 39
  39 2.87 29
  41 9.98 100
  42 2.85 29
  43 7.88 79
  45 1.53 15
  53 1.04 10
  55 7.1 71
  56 1.64 16
  57 1.09 11
  59 2.89 29
  69 5.48 55
  72 1.24 12
  73 99.99 999
  74 4.82 48
  81 3.73 37
  85 2.59 26
  95 2.03 20
  171 1.51 15
//