ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000766
RECORD_TITLE: 3,7-BIS(METHOXYMETHYL)TROPOLONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3,7-BIS(METHOXYMETHYL)TROPOLONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O4
CH$EXACT_MASS: 210.08921
CH$SMILES: COCC(C=1)=C(O)C(=O)C(COC)=CC1
CH$IUPAC: InChI=1S/C11H14O4/c1-14-6-8-4-3-5-9(7-15-2)11(13)10(8)12/h3-5H,6-7H2,1-2H3,(H,12,13)
CH$LINK: INCHIKEY QCKWUNMZGGJGGT-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-3900000000-79a96e34dff49ea987d5
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  45 12 120
  65 10 100
  66 5 50
  77 2.6 26
  78 6 60
  79 20 200
  80 3 30
  85 1 10
  89 5 50
  90 6.5 65
  91 34 340
  92 1.2 12
  93 3 30
  94 8 80
  105 8 80
  107 1.3 13
  108 3 30
  118 5 50
  119 8 80
  120 0.6 6
  121 33 330
  122 9.5 95
  124 6 60
  133 1.8 18
  135 52.5 525
  136 9 90
  147 6 60
  148 1.05 11
  149 4.5 45
  150 7 70
  163 9.5 95
  178 99.99 999
  179 10 100
  180 15.5 155
  181 3 30
  210 1.7 17
  211 8 80
//
