Spectrum KNA00005 for 4-Aminobutanoate

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

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Compound Metadata

NameValue
Natural Product
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
BTCSSZJGUNDROE-UHFFFAOYSA-N
C4H9NO2
103.063328528
O=C(O)CCCN

Mass Spectral Metadata

NameValue
KNA00005
2016.01.19 (Created 2009.11.16, modified 2011.08.03)
Takahashi H, Kanaya S, Ogasawara N, Graduate School of Information Science, NAIST
CC BY-SA
[Spectral] 4-Aminobutanoate (exact mass = 103.06333) and D-2-Aminobutyrate (exact mass = 103.06333) 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.
103.06333
LTQ Orbitrap XL, Thermo Scientfic
LC-ESI-ITFT
MS1
35eV
ESI
TOSOH TSKgel ODS-100V 5um Part no. 21456
0min:3%, 45min:97%, 50min:97%, 50.1:3%, 57min:3% (acetonitrile)
0.5 ml/min
5.057092 min
0.1%formate-water / 0.1%formate-acetonitrile
positive
0.7496748449242416
0.21440675638345205