Spectrum CCMSLIB00005720349 for "3,4-DIHYDROXY-1-PHENYLALANINE"

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
59-92-7
6047
InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
C9H11NO4
197.068807832
O=C(O)C(N)CC1=CC=C(O)C(O)=C1
WTDRDQBEARUVNC-LURJTMIESA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
qTof
197.069
1
IROATECH_MSMLS_SCIEX_5600_TripleTOF.mgf
MS2
PSU-MSMLS
Andrew D. Patterson, mpanitchpakdi, Philip Smith
positive
3.079163540209335
0.804244435906941
198.077
[M+H]+
1.1216244187533977 ppm
2.2216799999341674E-4 Da