Spectrum VF-NPL-QEHF002593 for Tryptamine

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  • Originally submitted to the Vaniya/Fiehn Natural Products 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
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
C10H12N2
160.100048384
NCCC1=CNC=2C=CC=CC21
APJYDQYYACXCRM-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
NP_C1_10_p6_C11_POS_QEHF_52.raw
13
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
0.43755279923969564
0.09062227996065708
161.1073150634766
[M+H]+
4.365540590893642 ppm
-7.033205233994977E-4 Da