Spectrum PR100558 for Gly-Gly

CLEAN

Rating: (*)(*)(*)(*)(*)

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
Dipeptide
InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
YMAWOPBAYDPSLA-UHFFFAOYSA-N
C4H8N2O3
132.053492116
O=C(O)CN=C(O)CN

Mass Spectral Metadata

NameValue
PR100558
1.3497390128227722
CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
negative
2016.01.19 (Created 2010.06.21, modified 2011.05.06)
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
CC BY-SA
Acquisition and generation of the data is financially supported in part by CREST/JST.
132.05349
UPLC Q-Tof Premier, Waters
LC-ESI-QTOF
MS2
Ramp 5-60 V
Continuum
600.0 L/Hr
400 C
LOW-ENERGY CID
ESI
120 C
3.0 kV
23.0 V
0.8386400012047922
131.04569
[M-H]-
4.014752411950252 ppm
-5.26116000003185E-4 Da