ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009830
RECORD_TITLE: 4-BENZYLOXY-2-METHYL-2-BUTENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 4-BENZYLOXY-2-METHYL-2-BUTENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H14O2
CH$EXACT_MASS: 190.09938
CH$SMILES: O=CC(C)=CCOCc(c1)cccc1
CH$IUPAC: InChI=1S/C12H14O2/c1-11(9-13)7-8-14-10-12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3/b11-7+
CH$LINK: INCHIKEY DCVWTVWAMAMRST-YRNVUSSQSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-0006-9100000000-6752db6fd58ba1ebaa7f
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 2.5 25
  29 2.5 25
  39 6.5 65
  41 0.31 3
  51 4.5 45
  53 2.2 22
  55 5.2 52
  63 0.19 2
  65 11.6 116
  77 8.8 88
  79 8.4 84
  82 0.26 3
  83 2.5 25
  84 11.9 119
  89 2.5 25
  91 99.99 999
  92 34.4 344
  99 1.9 19
  105 2.7 27
  107 0.33 3
  132 6.3 63
  145 4.9 49
  160 6.8 68
  161 0.14 1
  172 1.8 18
//
