ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007373
RECORD_TITLE: 3-METHOXY-3-METHYL-1-BUTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3-METHOXY-3-METHYL-1-BUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O2
CH$EXACT_MASS: 118.09938
CH$SMILES: OCCC(C)(C)OC
CH$IUPAC: InChI=1S/C6H14O2/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3
CH$LINK: CAS 56539-66-3
CH$LINK: INCHIKEY MFKRHJVUCZRDTF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8044389
AC$INSTRUMENT: HITACHI RMU-6M
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-9000000000-29ee0abad224625b5740
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 2.57 26
  27 4.91 49
  28 2.11 21
  29 5.97 60
  31 7.18 72
  33 8.61 86
  39 4.91 49
  40 1.27 13
  41 17.76 178
  42 2.69 27
  43 8.45 85
  45 5.02 50
  53 4.17 42
  55 4.17 42
  56 4.91 49
  57 2.48 25
  59 1.79 18
  69 8.51 85
  70 1 10
  71 3.75 38
  72 1.21 12
  73 99.99 999
  74 4.39 44
  85 6.23 62
  103 9.51 95
//
