Pre-
Name
Synonym
Supp.
Mol. wt.
Acetoacetic Li salt
Lithium acetoacetate
Sigma
108.00
N–
Acetylaspartic
Aldrich
175.10
N–
Acetyltyrosine
Sigma
223.20
Aconitic
cis-Aconitic
Sigma
174.10
Adipic
Sigma
146.14
Benzoic-Na salt
Aldrich
144.10
Butyrylglycine
ten Brink
Citric, anhydrous
Sigma
192.10
Decanoic
Capric
Sigma
172.27
Ethylmalonic
Sigma
132.10
Fumaric (free acid)
Aldrich
116.07
Glutaconic
ICN
130.10
Glutaric
Sigma
132.10
dl
Glyceric hemi Ca salt
Sigma
125.10
Glycolic
Sigma
76.05
Glyoxylic Na salt
Sigma
114.00
Hexanoylglycine
ten Brink
173.21
Hippuric
Benzoylglycine
Sigma
179.18
3-
Hydroxy-3-methylglutaric
HMG
Sigma
162.10
2-
Hydroxy-3-methylvaleric Na salt
Sigma
154.10
2-
Hydroxyadipic
UAM
162.16
3-
Hydroxybutyric Na salt
beta-Hydroxybutyric-Na salt
Sigma
126.10
4-
Hydroxybutyric Na salt
gamma-Hydroxybutyric-Na
Sigma
126.10
4-
Hydroxycyclohexylacetic
UAM
158.19
2-
Hydroxyglutaric di-Na salt
l-a-hydroxyglutaric
Sigma
192.10
3-
Hydroxyglutaric
ten Brink
192.10
3-
Hydroxyisobutyric
beta-Hydroxyisobutyric
UAM
104.12
2-
Hydroxyisocaproic
alpha-hydroxyisocaproic
Sigma
132.20
2-
Hydroxyisovaleric
alpha-Hydroxyisovaleric
Fluka
118.13
3-
Hydroxyisovaleric
beta-Hydroxyisovaleric
UAM
118.13
5-
Hydroxymethyluracil
Sigma
142.10
2-
Hydroxyphenylacetic
o-Hydroxyphenylacetic
Sigma
152.10
4-
Hydroxyphenylacetic
p-Hydroxyphenylacetic
Sigma
152.10
4-
Hydroxyphenyllactic
p-Hydroxyphenyllactic
Sigma
182.20
4-
Hydroxyphenylpyruvic
p-Hydroxyphenylpyruvic
Sigma
180.16
3-
Hydroxypropionic
Ethylhydracrylic
Fluka
90.08
3-
Hydroxyvaleric K salt (94 %)
UAM
156.00
Isobutyrylglycine
ten Brink
Isocitric-3 Na salt
Sigma
258.10
Isovalerylglycine
UAM
159.21
Lactic
l-(+)-Lactic
Sigma
90.08
Malic
Sigma
134.10
Malonic
Sigma
104.10
2-
Methyl-3-hydroxybutyric (80 %)
UAM
118.13
2-
Methyl-3-hydroxyvaleric
3-Hydroxy-2-methylvaleric
UAM
132.16
2-
Methylacetoacetic
Med. Isotopes
116.11
2-
Methylbutyrylglycine
ten Brink
159.00
2-
Methylcitric
UAM
206.15
3-
Methylcrotonylglycine
ten Brink
3-
Methylglutaconic (82 %)
UAM
156.00
3-
Methylglutaric
Sigma
146.14
Methylmalonic
Aldrich
118.09
Methylsuccinic
Sigma
132.10
Mevalonic Lactone
Mevalonolactone
Aldrich
130.15
Octanoic
Caprylic
Sigma
144.20
Orotic
Sigma
178.10
2-
Oxo-3-methylvaleric Na salt
3-Methyl-2-oxopentanoic
Aldrich
152.10
2-
Oxoadipic
alpha-Ketoadipic
Sigma
160.10
2-
Oxoglutaric
alpha-Ketoglutaric
Sigma
168.10
2-
Oxoisocaproic Na salt
Na 4-methy-2-oxopentanoic
Aldrich
152.10
2-
Oxoisovaleric Na salt
3-Methyl-2-oxobutanoic
Aldrich
138.10
5-
Oxoproline
Pyroglutamic
Sigma
129.10
Phenylacetic
Benzeneacetic
Aldrich
136.20
3-
Phenyllactic
dl-beta-Phenyllactic
Sigma
166.20
Phenylpyruvic Na salt
beta-Phenylpyruvic Na
Sigma
186.10
Pimelic
Heptanedioic
Sigma
160.20
Propionylglycine
UAM
131.15
Pyruvic Na salt
Sigma
110.00
Sebacic
Decanedioic
Sigma
202.25
Suberic
Octanedioic
Sigma
174.20
Suberylglycine
ten Brink
231.00
Succinic
Sigma
118.10
Succinylacetone
4,6-Dioxoheptanoic
Sigma
158.16
Thymine
Sigma
126.10
Tiglylglycine
UAM
157.19
Uracil
Sigma
112.10
Table 2
Example of a calibration mixture
Pre- | Name (purity %) | RI | RI | M+ | T m/z | Q m/z | Solv. | Mix | 1× | mM | 1× | 1× μL | × μL | 1× μL | 46× μL | 46× μL | 46× μL |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
DB5MS | DB5 | nmol | nmol | Bicarb | MeOH | HCl | Bicarb | MeOH | HCl | ||||||||
Glycolic 2TMS | 1068 | 1077 | 220 | 177 | 205 | Bicarb | 1 | 50 | 10 | 50 | 5.00 | 230 | |||||
3- | Hydroxybutyric 2TMS | 1153 | 1163 | 248 | 191 | 117 | Bicarb | 1 | 100
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