MassBank Record: JP004504



 1,2,4,5-TETRA-O-ACETYL-3,6-DI-O-METHYLHEXITOL (1-D); EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP004504
RECORD_TITLE: 1,2,4,5-TETRA-O-ACETYL-3,6-DI-O-METHYLHEXITOL (1-D); EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: SEYAMA YDEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA

CH$NAME: 1,2,4,5-TETRA-O-ACETYL-3,6-DI-O-METHYLHEXITOL (1-D) CH$NAME: 1,2,4,5-TETRACETOXY-3,6-DIMETHOXYHEXANE (1-D) CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H26O10 CH$EXACT_MASS: 378.15260 CH$SMILES: COCC(OC(C)=O)C(OC(C)=O)C(OC)C(OC(C)=O)C([H])([2H])OC(C)=O CH$IUPAC: InChI=1S/C16H26O10/c1-9(17)23-8-14(25-11(3)19)15(22-6)16(26-12(4)20)13(7-21-5)24-10(2)18/h13-16H,7-8H2,1-6H3/i8D CH$LINK: INCHIKEY BWFYMIDEWZXNAH-BNEYPBHNSA-N
AC$INSTRUMENT: SHIMADZU LKB-9000B AC$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$SPLASH: splash10-001l-6910000000-0757ffc8ac6dc11260aa PK$NUM_PEAK: 68 PK$PEAK: m/z int. rel.int. 41 1 10 42 2.3 23 43 64.6 646 44 0.21 2 45 14.3 143 55 1.3 13 56 2.1 21 57 0.11 1 59 2.8 28 69 1.1 11 70 2 20 71 0.39 4 72 4.7 47 73 1.3 13 74 4.7 47 75 0.33 3 81 1.4 14 82 1.1 11 85 3.8 38 86 0.19 2 87 24.9 249 88 43.9 439 89 8.3 83 98 0.64 6 99 18.9 189 100 4.9 49 101 8.6 86 103 0.11 1 104 1.3 13 112 3.5 35 113 34.5 345 114 0.37 4 115 3.6 36 116 1.5 15 117 5.5 55 124 0.15 2 126 2 20 128 1.2 12 129 17.6 176 130 99.99 999 131 20.4 204 132 1.8 18 140 4.6 46 142 0.44 4 143 2.2 22 145 1.1 11 146 1.7 17 147 0.47 5 156 2.1 21 157 1.7 17 158 2.4 24 159 0.16 2 160 2.4 24 172 1.3 13 173 6.9 69 174 0.19 2 189 3.2 32 190 49.7 497 191 5 50 192 0.1 1 205 6.5 65 214 1 10 230 1 10 232 0.28 3 233 31.7 317 234 3.6 36 274 1.3 13 290 2.3 23 //

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