Spectrum CCMSLIB00000479708 for Lactose

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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
5965-66-2
84571
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
GUBGYTABKSRVRQ-DCSYEGIMSA-N
C12H22O11
342.116211524
OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
Orbitrap
342.116
1
Lactose2.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
positive
2.2972879017830494
0.5523809772327696
343.14
[M+H]+
46.09918983503131 ppm
0.015818475999992643 Da