ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008450
RECORD_TITLE: 3-METHYLBUTOXYMETHYLBENZENE; 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$NAME: 3-METHYLBUTOXYMETHYLBENZENE
CH$NAME: BENZYL ISOAMYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18O
CH$EXACT_MASS: 178.13577
CH$SMILES: CC(C)CCOCc(c1)cccc1
CH$IUPAC: InChI=1S/C12H18O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
CH$LINK: INCHIKEY RXXCIBALSKQCAE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047439
AC$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: splash10-0006-9000000000-03677ef69de3b719cef0
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 5.78 58
  29 5.47 55
  39 9.38 94
  41 12.25 123
  42 1.59 16
  43 15.79 158
  50 1.03 10
  51 3.79 38
  52 1.03 10
  55 2.13 21
  57 2.46 25
  63 1.98 20
  65 11.2 112
  69 5.07 51
  70 1.72 17
  71 2.23 22
  77 4.64 46
  78 1.71 17
  79 4.29 43
  89 2.11 21
  90 1.43 14
  91 99.99 999
  92 65.64 656
  93 3.7 37
  105 1.95 20
  107 3.01 30
  108 5.03 50
//
