ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009826
RECORD_TITLE: 3-METHYL-3-(3-HYDROXY-3-METHYLBUTOXY)BUTANOL; 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$NAME: 3-METHYL-3-(3-HYDROXY-3-METHYLBUTOXY)BUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H22O3
CH$EXACT_MASS: 190.15689
CH$SMILES: OCCC(C)(C)OCCC(C)(C)O
CH$IUPAC: InChI=1S/C10H22O3/c1-9(2,12)6-8-13-10(3,4)5-7-11/h11-12H,5-8H2,1-4H3
CH$LINK: INCHIKEY CASYYYJJAUURRZ-UHFFFAOYSA-N
AC$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: splash10-066u-9000000000-fb548c5073c47a83ebbb
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  29 2.5 25
  30 5 50
  31 8.6 86
  39 0.47 5
  41 27.3 273
  43 28.1 281
  45 13.4 134
  46 0.16 2
  55 5 50
  56 7.8 78
  57 7.7 77
  58 0.28 3
  59 53.3 533
  68 4.5 45
  69 99.99 999
  70 1.25 13
  71 16.9 169
  72 1.7 17
  73 13.3 133
  77 0.31 3
  85 3.1 31
  86 4.7 47
  87 20.3 203
  89 5.83 58
  90 4.2 42
  103 1.1 11
  119 1.3 13
  121 0.15 2
  145 12.5 125
//
