Spectrum MoNA023847 for SUCROSE

Rating: (*)★(*)★(*)★(*)★(*)☆

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
InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
CZMRCDWAGMRECN-UGDNZRGBSA-N
C12H22O11
342.116211524
OCC1OC(OC2(OC(CO)C(O)C2O)CO)C(O)C(O)C1O

Mass Spectral Metadata

NameValue
Thermo Scientific Orbitrap ID-X
LC-ESI-Orbitrap
Flow Injection
ESI
MS2
HCD (NCE 40%)
C12H22O11
342.0
342.11621
IROA_DB_for_mona_filtered_exported_addedInfo.msp
positive
3.0415909931209133
0.6941060031569786
343.12351
[M+H]+
1.9570911943151084 ppm
-6.715239999834921E-4 Da