ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006041
RECORD_TITLE: 3,5,5-TRIMETHYL-1-HEXANOL; 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$NAME: 3,5,5-TRIMETHYL-1-HEXANOL
CH$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
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$SPLASH: splash10-0a4i-9100000000-8513141d155edfd64da1
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  41 4.95 50
  42 1.93 19
  43 6.26 63
  55 10.67 107
  56 33.7 337
  57 99.99 999
  58 4.54 45
  68 1.67 17
  69 43.5 435
  70 15.27 153
  71 12.4 124
  83 9.77 98
  84 1.63 16
  85 6.34 63
  86 5.85 59
  87 25.17 252
  88 1.55 16
  98 1.75 18
  111 16.88 169
  112 1.46 15
  129 16.74 167
  130 1.48 15
//
