MassBank Record: JP002423



 (6S)-2,6-DIMETHYL-7-OCTENE-2,3-DIOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002423
RECORD_TITLE: (6S)-2,6-DIMETHYL-7-OCTENE-2,3-DIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (6S)-2,6-DIMETHYL-7-OCTENE-2,3-DIOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H20O2 CH$EXACT_MASS: 172.14633 CH$SMILES: C=CC([H])(C)CCC(O)C(C)(C)O CH$IUPAC: InChI=1S/C10H20O2/c1-5-8(2)6-7-9(11)10(3,4)12/h5,8-9,11-12H,1,6-7H2,2-4H3/t8-,9?/m1/s1
AC$INSTRUMENT: HITACHI M-52 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 11 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0089-9200000000-481fc8bd3ca92fda8d23 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 55 6.6 66 57 5.5 55 59 11 110 60 1.86 19 68 7.9 79 70 76.4 764 71 11 110 73 1.04 10 81 99.99 999 82 12.8 128 84 4.8 48 85 0.93 9 93 7.6 76 94 3.1 31 96 52.7 527 97 3.45 35 102 1.7 17 107 2.1 21 110 9.3 93 113 4.36 44 114 30.9 309 117 3.8 38 121 2.4 24 138 0.21 2 139 6.6 66 154 24.5 245 155 1.7 17 //