ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005685
RECORD_TITLE: 2,2-DIMETHYL-1-PENTANOL; EI-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
CH$NAME: 2,2-DIMETHYL-1-PENTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H16O
CH$EXACT_MASS: 116.12012
CH$SMILES: CCCC(C)(C)CO
CH$IUPAC: InChI=1S/C7H16O/c1-4-5-7(2,3)6-8/h8H,4-6H2,1-3H3
CH$LINK: INCHIKEY QTOMCRXZFDHJOL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90178363
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-4581e1ff563a3fa09600
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 2.72 27
  29 6.92 69
  31 3.84 38
  39 1.34 13
  41 19.03 190
  42 1.87 19
  43 99.99 999
  44 3.86 39
  45 8.56 86
  55 20.42 204
  56 9.5 95
  57 25.36 254
  58 1.27 13
  59 3.63 36
  69 7.99 80
  70 1.04 10
  72 1.37 14
  73 8.61 86
  83 2.89 29
  84 16.08 161
  85 46.43 464
  86 2.81 28
  101 0.15 2
  115 0.14 1
//
