Spectrum KO008837 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
KO008837
2011.12.05 (Created 2008.05.12)
Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
513.25873
LC/MSD Trap XCT, Agilent Technologies
LC-ESI-IT
MS3
0.75/0.65
LC/MSD Trap Control and Data Analysis
positive
514/453
[M+H]+
2.678669119057061
0.6625365204660763
453.0
[M+H]+
135246.58684326708 ppm
-61.26670383999999 Da