Spectrum CCMSLIB00005720493 for D-(+)-GALACTOSAMINE

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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
1772-03-8
InChI=1S/C6H13NO5.ClH/c7-3(1-8)5(11)6(12)4(10)2-9;/h1,3-6,9-12H,2,7H2;1H
C6H14ClNO5
215.05605022799998
Cl.O=CC(N)C(O)C(O)C(O)CO
CBOJBBMQJBVCMW-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
qTof
179.079
1
IROATECH_MSMLS_SCIEX_5600_TripleTOF.mgf
MS2
PSU-MSMLS
Andrew D. Patterson, mpanitchpakdi, Philip Smith
positive
3.099942084227186
0.8461552946712679
180.087
[M+H]+
199775.7763081177 ppm
-35.977020227999986 Da