Spectrum KNA00640 for Guanine

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

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Compound Metadata

NameValue
Natural Product
InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
UYTPUPDQBNUYGX-UHFFFAOYSA-N
C5H5N5O
151.04940978000002
N=C1N=C(O)C=2N=CNC2N1

Mass Spectral Metadata

NameValue
ESI
KNA00640
2016.01.19 (Created 2009.11.19, modified 2011.08.03)
Takahashi H, Kanaya S, Ogasawara N, Graduate School of Information Science, NAIST
CC BY-SA
[Spectral] Guanine (exact mass = 151.04941) and D-Gluconic acid (exact mass = 196.0583) were not completely separated on HPLC under the present analytical conditions as described in "AC$XXX". Additionally some of the peaks in this data contains dimers and other unidentified ions.
151.04941
LTQ Orbitrap XL, Thermo Scientfic
LC-ESI-ITFT
MS1
35eV
TOSOH TSKgel ODS-100V 5um Part no. 21456
0min:3%, 45min:97%, 50min:97%, 50.1:3%, 57min:3% (acetonitrile)
0.5 ml/min
5.455307 min
0.1%formate-water / 0.1%formate-acetonitrile
negative
2.852026133222459
0.49829365378870666