Spectrum CCMSLIB00005720647 for PYRIDOXINE

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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
65-23-6
1054
InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
C8H11NO3
169.07389321199997
OC=1C(=NC=C(C1CO)CO)C
LXNHXLLTXMVWPM-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
qTof
169.074
-1
IROATECH_MSMLS_SCIEX_5600_TripleTOF.mgf
MS2
PSU-MSMLS
Andrew D. Patterson, mpanitchpakdi, Philip Smith
negative
2.325593842750129
0.8387806760143797
168.066
[M-H]-
3.6724382086818697 ppm
-6.172119999803272E-4 Da