ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003685
RECORD_TITLE: 2-CHLOROMETHYL-1,3,DIMETHOXY-2-METHYL-PROPANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 2-CHLOROMETHYL-1,3,DIMETHOXY-2-METHYL-PROPANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H15ClO2
CH$EXACT_MASS: 166.07606
CH$SMILES: COCC(C)(CCl)COC
CH$IUPAC: InChI=1S/C7H15ClO2/c1-7(4-8,5-9-2)6-10-3/h4-6H2,1-3H3
CH$LINK: INCHIKEY IMIQLFOMUCVFRE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90337392
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0072-9000000000-91f4282b78db5046590b
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  39 7.2 72
  41 16.5 165
  42 1.9 19
  43 0.63 6
  45 99.99 999
  46 2.4 24
  47 1.2 12
  49 0.11 1
  50 0.8 8
  51 1.2 12
  53 5.2 52
  54 0.42 4
  55 17.7 177
  56 4.6 46
  57 2.3 23
  58 0.14 1
  59 4 40
  67 3.3 33
  68 0.5 5
  69 0.31 3
  70 0.6 6
  71 59.7 597
  72 4.5 45
  75 0.69 7
  77 5.4 54
  79 4.7 47
  81 1.5 15
  83 0.06 1
  85 52.5 525
  86 22.9 229
  87 2.5 25
  89 0.01 0
  90 2.3 23
  92 0.7 7
  98 1.4 14
  99 0.22 2
  100 1.6 16
  117 0.5 5
  119 0.6 6
  121 0.06 1
  134 5.9 59
  135 0.6 6
  136 1.8 18
//
