MassBank Record: JP001217



 2,5-DIACETOXY-2,5-DIMETHYL-3-HEXYNE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001217
RECORD_TITLE: 2,5-DIACETOXY-2,5-DIMETHYL-3-HEXYNE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 2,5-DIACETOXY-2,5-DIMETHYL-3-HEXYNE CH$NAME: 1,1,4,4-TETRAMETHYL-2-BUTYNYLENE DIACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H18O4 CH$EXACT_MASS: 226.12051 CH$SMILES: CC(=O)OC(C)(C)C#CC(C)(C)OC(C)=O CH$IUPAC: InChI=1S/C12H18O4/c1-9(13)15-11(3,4)7-8-12(5,6)16-10(2)14/h1-6H3
AC$INSTRUMENT: HITACHI RMU-6D 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: splash10-0006-4900000000-41d1a91aa5279ce9efa6 PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 18 1.5 15 26 3.5 35 43 26 260 55 0.35 4 58 5 50 65 1 10 67 1 10 68 1.1 11 69 16 160 70 6 60 73 1.5 15 75 1.7 17 76 1 10 77 14 140 78 3 30 80 1.7 17 81 1 10 82 14 140 83 3 30 92 0.2 2 97 4 40 98 3 30 99 2.5 25 100 5.5 55 101 3 30 107 19 190 108 3 30 109 4 40 110 4 40 121 7 70 122 44 440 123 1.8 18 124 4 40 125 6.5 65 142 2 20 143 99.99 999 144 10 100 167 8 80 168 1.5 15 169 0.1 1 182 22 220 183 2 20 //