Spectrum KNA00348 for D-2-Aminobutyrate

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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/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
QWCKQJZIFLGMSD-GSVOUGTGSA-N
C4H9NO2
103.063328528
O=C(O)C(N)CC

Mass Spectral Metadata

NameValue
KNA00348
2016.01.19 (Created 2009.11.18, modified 2011.08.03)
Takahashi H, Kanaya S, Ogasawara N, Graduate School of Information Science, NAIST
CC BY-SA
[Spectral] D-2-Aminobutyrate (exact mass = 103.06333) and L-Cysteine (exact mass = 121.01975) 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
5.032865 min
0.1%formate-water / 0.1%formate-acetonitrile
positive
1.4167888739738121
0.3474618917580615