Spectrum MCH00002 for 2,5-Dihydroxybenzoic acid

Rating: (*)★(*)★(*)★(*)☆( )☆

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
Natural Product
InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
WXTMDXOMEHJXQO-UHFFFAOYSA-N
C7H6O4
154.026608672
O=C(O)C1=CC(O)=CC=C1O

Mass Spectral Metadata

NameValue
MCH00002
2016.01.19 (Created 2009.11.24, modified 2011.05.11)
Wada Y, Osaka Medical Center for Maternal and Child Health
CC BY-SA
154.02661
Voyager DE-PRO, Applied Biosystems
MALDI-TOF
MS1
UV 337 nm nitrogen lazer, 20 Hz, 10 nsec
10 mg/mL
30% acetonitrile / 0.1% trifloroacetic acid
positive
3.2727190836529036
0.8130268694746539