Spectrum FiehnHILIC000989 for 4-Hydroxybenzoic acid

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC Library

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
FJKROLUGYXJWQN-UHFFFAOYSA-N
C7H6O3
138.03169405199998
O=C(O)C1=CC=C(O)C=C1
InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)

Mass Spectral Metadata

NameValue
M + 0
188
negative
1.508283
HCD (NCE 20-30-40%)
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.33855861556992517
0.21035829524973224
137.0234
[M-H]-
7.429767470211968 ppm
-0.0010180519999778426 Da