Spectrum CCMSLIB00000578030 for D-SACCHARIC ACID

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
576-42-1
33037
C6H10O8
210.03756728
O=C(O)C(O)C(O)C(O)C(O)C(=O)O
InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1
DSLZVSRJTYRBFB-LLEIAEIESA-N

Mass Spectral Metadata

NameValue
MS2
LC-ESI
Commercial standard
Q-Exactive Plus
210.038
0
IROA_PLATE_pos_4_C.mzXML
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
positive
4.009683624517796
0.7950318546549755
211.05
[M+H]+
21.145321014075723 ppm
0.004462720000020681 Da