Spectrum KO001003 for o-Hydroxybenzoate

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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
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
YGSDEFSMJLZEOE-UHFFFAOYSA-N
C7H6O3
138.03169405199998
O=C(O)C=1C=CC=CC1O

Mass Spectral Metadata

NameValue
KO001003
CC BY-NC-SA
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
KEIO_ID H020
138.03169
API3000, Applied Biosystems
LC-ESI-QQ
MS2
10 V
negative
0.13661800422906464
0.06569937239913967
137
[M-H]-
178.23395620428653 ppm
-0.024418051999987256 Da