Spectrum MoNA016890 for L-TAGATOSE

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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
BJHIKXHVCXFQLS-LFRDXLMFSA-N
C6H12O6
180.06338810399998
O=C(CO)C(O)C(O)C(O)CO
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m0/s1

Mass Spectral Metadata

NameValue
C6H12O6
-1
0.6606167
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
0.48113443668082434
0.2989456337294557
203.053
[M+Na]+
0.7786341496022002 ppm
-1.5810399997917557E-4 Da