(+)-5,6-O-Isopropylidene-L-ascorbic acid(15042-01-0) MS
Product Name(+)-5,6-O-Isopropylidene-L-ascorbic acid
CAS15042-01-0
Molecular FormulaC9H12O6
Molecular Weight216.19
InChIInChI=1S/C9H12O6/c1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7/h4,7,10-11H,3H2,1-2H3/t4-,7+/m0/s1
InChIKey POXUQBFHDHCZAD-MHTLYPKNSA-N
SmilesOC1=C(O)C(=O)O[C@@H]1[C@@H]1COC(O1)(C)C
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MassMS-IW-9295 5,6-O-isopropylidene-L-ascorbic acid C9H12O6 (Mass of molecular ion: 216)
Source Temperature: 130 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 6.1 18.0 4.3 26.0 1.3 27.0 4.8 28.0 9.6 29.0 12.3 30.0 1.8 31.0 8.0 39.0 6.2 40.0 2.2 41.0 10.9 42.0 7.3 43.0 100.0 44.0 8.7 45.0 2.8 53.0 1.1 54.0 1.5 55.0 6.4 56.0 2.7 57.0 6.7 58.0 4.9 59.0 57.3 60.0 2.5 61.0 9.9 67.0 1.1 68.0 2.7 69.0 2.3 70.0 1.1 71.0 2.3 72.0 5.8 73.0 9.8 74.0 2.4 83.0 3.6 84.0 3.0 85.0 12.0 87.0 3.4 95.0 1.3 100.0 1.2 101.0 59.7 102.0 4.2 103.0 2.1 112.0 1.0 113.0 7.2 115.0 1.4 116.0 6.9 129.0 4.6 130.0 1.0 141.0 16.8 142.0 1.3 158.0 2.9 159.0 2.7 201.0 21.7 202.0 2.1 216.0 9.8 217.0 1.2
in DMSO-d6
KBr disc
nujol mull
