Spectrum CCMSLIB00005720542 for "2,5-DIHYDROXYBENZOATE"

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
490-79-9
3469
InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
C7H6O4
154.026608672
O=C(O)C1=CC(O)=CC=C1O
WXTMDXOMEHJXQO-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
qTof
154.027
1
IROATECH_MSMLS_SCIEX_5600_TripleTOF.mgf
MS2
PSU-MSMLS
Andrew D. Patterson, mpanitchpakdi, Philip Smith
positive
2.4093317940826404
0.6951862062358269
155.034
[M+H]+
3.732548989366057 ppm
-5.786720000173773E-4 Da