MassBank Record: JP001216



 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: JP001216
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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9600000000-a89708c4f97853614770 PK$NUM_PEAK: 61 PK$PEAK: m/z int. rel.int. 14 5 50 18 4 40 25 2 20 26 1.4 14 27 2.5 25 30 1 10 31 1.5 15 39 0.75 8 40 1.5 15 41 16 160 42 3 30 43 99.99 999 44 2 20 45 1 10 50 1 10 51 0.35 4 52 2.5 25 53 11 110 54 1 10 55 0.15 2 57 7.5 75 61 1.5 15 63 4.5 45 64 0.2 2 65 6 60 66 4 40 67 11 110 68 1.8 18 69 4 40 76 4.5 45 77 1.5 15 78 0.6 6 79 1 10 80 27 270 81 2 20 82 1.85 19 83 3 30 92 8 80 93 1 10 94 0.3 3 96 6 60 97 1 10 98 1 10 99 4.4 44 100 2 20 105 1 10 106 21 210 107 0.3 3 108 48 480 109 5 50 122 6 60 123 2 20 124 18 180 125 2 20 126 5 50 139 0.15 2 140 74 740 141 6 60 163 6 60 182 1.6 16 183 2 20 //