Spectrum CCMSLIB00005720895 for 1-HYDROXY-2-NAPHTHOATE

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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
86-48-6
6844
InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)
C11H8O3
188.04734411599998
O=C(O)C=1C=CC=2C=CC=CC2C1O
SJJCQDRGABAVBB-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
qTof
188.047
-1
IROATECH_MSMLS_SCIEX_5600_TripleTOF.mgf
MS2
PSU-MSMLS
Andrew D. Patterson, mpanitchpakdi, Philip Smith
negative
1.6845197466521054
0.4006285117926413
187.04
[M-H]-
0.36417878525574093 ppm
-6.811599999423379E-5 Da