Spectrum FiehnHILIC000911 for 2-Amino-3-methoxybenzoic 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
SXOPCLUOUFQBJV-UHFFFAOYSA-N
C8H9NO3
167.058243148
O=C(O)C=1C=CC=C(OC)C1N
InChI=1S/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)

Mass Spectral Metadata

NameValue
1.279033
M + 0
negative
HCD (NCE 20-30-40%)
142
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)
1.097736682345945
0.5278997559407994
166.0502
[M-H]-
4.6199763687285165 ppm
-7.671480000226438E-4 Da