Spectrum PT210073 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
162.14
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
PT210073
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
Copyright(C) 2009 Plant Science Center, RIKEN
Q-Tof Premier, Waters
LC-Q-TOF/MS
ESI
120 C
Q
Q
LOW-ENERGY CID
30 V
TOF
Continuum
CH3CN/H2O
3.0 kV
35.0 V
[M-H]-
MS2
negative
0.22222725032736007
0.3206061519976727
161.04502
[M-H]-
3.2749848458362245 ppm
-5.274199999973916E-4 Da