Spectrum KO002399 for DAMGO

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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
InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
HPZJMUBDEAMBFI-WTNAPCKOSA-N
C26H35N5O6
513.25873384
O=C(N(C)C(C(O)=NCCO)CC=1C=CC=CC1)CN=C(O)C(N=C(O)C(N)CC2=CC=C(O)C=C2)C

Mass Spectral Metadata

NameValue
KO002399
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID A226
513.25873
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
positive
1.7614948026925588
0.6674712151665771
514
[M+H]+
518.8790661478425 ppm
-0.26670383999999103 Da