Spectrum PS048610 for alpha-D-(+)-mannose-1-phosphate sodium salt hydrate

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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
O=P(O)(O)OC1OC(CO)C(O)C(O)C1O
260.029
C6H13O9P
260.029718626
InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1
HXXFSFRBOHSIMQ-RWOPYEJCSA-N

Mass Spectral Metadata

NameValue
PS048610
Copyright(C) 2008 Plant Science Center, RIKEN
[M-H]-
MS2
1.012767353489168
0.921860572592889
685.0207330247018 ppm
Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
Sawada et al Widely targeted metabolomics based on large-scale MS/MS data for elucidating metabolite accumulation patterns in plants. Plant Cell Physiol(2009) 50:37-47:doi:10.1093/pcp/pcn183
TQD, Waters
Flow-injection QqQ/MS
ESI
Q
Q
LOW-ENERGY CID
40
Q
CENTROID
negative
259.2
[M-H]-
0.1775573740000027 Da