. Author manuscript; available in PMC: 2015 May 21.

Published in final edited form as: Anal Chem. 2014 Feb 5;86(4):2221–2228. doi: 10.1021/ac403879d

Table 1.

Fragments of TMS-Derivatized Compounds Part 1

compound	m/z	m/z ¹³C	m/z d₉-TMS	formula
adenine 2TMS	279	284	297	C₁₁H₂₁N₅Si₂
	264	269	279	C₁₀H₁₈N₅Si₂
	206	211	215	C₈H₁₂N₅Si
alanine 2TMS	233	–	–	C₉H₂₃NO₂Si₂
	218	220, 221	233, 236	C₈H₂₀NO₂Si₂
	190	192	205	C₇H₂₀NOSi₂
	116	118	125	C₅H₁₄NSi
aspartic acid 2TMS	277	281	295	C₁₀H₂₃NO₄Si₂
	262	266	277	C₉H₂₀NO₄Si₂
	234	237	249	C₈H₂₀NO₃Si₂
	220	222	235	C₇H₁₈NO₃Si₂
	160	163	169	C₆H₁₄N₁O₂Si
aspartic acid 3TMS	349	354	376	C₁₃H₃₁NO₄Si₃
	334	338	358	C₁₂H₂₈NO₄Si₃
	306	309	330	C₁₁H₂₈NO₃Si₃
	292	294	316	C₁₀H₂₆NO₃Si₃
	232	235	250	C₉H₂₂NO₂Si₂
	218	220	236	C₈H₂₀NO₂Si₂
β-alanine 3TMS	305	–	–	C₁₂H₃₁NO₂Si₃
	290	–	314	C₁₁H₂₈NO₂Si₃
	248	–	272	C₉H₂₆NOSi₃
	232	–	250	C₉H₂₂NO₂Si₂
	174	–	192	C₇H₂₀NSi
	86	–	92	C₃H₆OSi
citric acid 4TMS	480	–	–	C₁₈H₄₀O₇Si₄
	465	471	498	C₁₇H₃₇O₇Si₄
	375	381	399	C₁₄H₂₇O₆Si₃
	363	368	390	C₁₄H₃₁O₅Si₃
	347	352	371	C₁₃H₂₇O₅Si₃
	273	278	291	C₁₁H₂₁O₄Si₂
3-phosphoglycerate 4TMS	474			C₁₅H₃₉O₇PSi₄
	459	462	492	C₁₄H₃₆O₇PSi₄
	387	387	423	C₁₂H₃₆O₄PSi₄
	357	359	384	C₁₁H₃₀O₅PSi₃
	315	315	342	C₉H₂₈O₄PSi₃
	299	299	323	C₈H₂₄O₄PSi₃
glycerol-3-phosphate 4TMS	460			C₁₅H₄₁O₆PSi₄
	445	448	478	C₁₄H₃₈O₆PSi₄
	387	387	423	C₁₂H₃₆O₄PSi₄
	357	359	384	C₁₁H₃₀O₅PSi₃
	341	343	365	C₁₀H₂₆O₅PSi₃
	299	299	323	C₈H₂₄O₄PSi₃