MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006109

3,5,5-TRIMETHYL-1-HEXANOL; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006109
RECORD_TITLE: 3,5,5-TRIMETHYL-1-HEXANOL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 3,5,5-TRIMETHYL-1-HEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₂₀O
CH$EXACT_MASS: 144.15142
CH$SMILES: OCCC(C)CC(C)(C)C
CH$IUPAC: InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3
CH$LINK: INCHIKEY BODRLKRKPXBDBN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7029661

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-00di-9000000000-c0f74de8c741f545c3e4
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  69 22.43 224
  71 9.25 93
  72 99.99 999
  73 4.71 47
  83 5.07 51
  85 2.65 27
  86 2.41 24
  87 11.37 114
  99 2.7 27
  111 4.15 42
  127 4.8 48
  129 6.66 67
  143 1.64 16
//