Spectrum PR100859 for 1,6-Anhydro-beta-D-glucose

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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
Monosaccharide
C6H10O5
162.05282341999998
OC1C(O)C2OCC(O2)C1O
InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2?,3-,4+,5-,6-/m1/s1
TWNIBLMWSKIRAT-XKOXVXMFSA-N

Mass Spectral Metadata

NameValue
PR100859
2016.01.19 (Created 2010.06.21, modified 2011.05.06)
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
CC BY-SA
Acquisition and generation of the data is financially supported in part by CREST/JST.
162.05282
UPLC Q-Tof Premier, Waters
LC-ESI-QTOF
MS2
30 V
Continuum
600.0 L/Hr
400 C
LOW-ENERGY CID
ESI
120 C
3.0 kV
23.0 V
CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
negative
0.22222725032736007
0.3206061519976727
161.04502
[M-H]-
3.2749848458362245 ppm
-5.274199999973916E-4 Da