Spectrum FiehnHILIC000827 for Tyr-Tyr-Tyr

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC 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
RMRFSFXLFWWAJZ-UHFFFAOYSA-N
C27H29N3O7
507.20055026800003
O=C(O)C(N=C(O)C(N=C(O)C(N)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3
InChI=1S/C27H29N3O7/c28-22(13-16-1-7-19(31)8-2-16)25(34)29-23(14-17-3-9-20(32)10-4-17)26(35)30-24(27(36)37)15-18-5-11-21(33)12-6-18/h1-12,22-24,31-33H,13-15,28H2,(H,29,34)(H,30,35)(H,36,37)

Mass Spectral Metadata

NameValue
M + 0
7.086383
positive
HCD (NCE 20-30-40%)
1294
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.277005748021145
0.40182004968787244
508.2076
[M+H]+
1.8108111724731528 ppm
-9.20268000015767E-4 Da