Spectrum CCMSLIB00005720511 for TRYPTOPHANAMIDE

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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
5022-65-1
InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)
C11H13N3O
203.105862036
N=C(O)C(N)CC1=CNC=2C=CC=CC21
JLSKPBDKNIXMBS-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
qTof
203.106
1
IROATECH_MSMLS_SCIEX_5600_TripleTOF.mgf
MS2
PSU-MSMLS
Andrew D. Patterson, mpanitchpakdi, Philip Smith
positive
3.5764021826840553
0.7064365526676731
204.114
[M+H]+
0.8228930892217027 ppm
1.6796400001339862E-4 Da