. Author manuscript; available in PMC: 2013 Jul 8.

Published in final edited form as: Anal Chem. 2010 Mar 1;82(5):1867–1880. doi: 10.1021/ac902571u

Table 2.

Sample	Q1 m/z	Chemical Structure	Signal_He/Signal_N2 at Max SV
5-Fluorouracil	−129.1	C₄H₂FN₂O₂	0
Aspartic Acid	−132.0	C₄H₆NO₄	0
Glutamic Acid	−146.1	C₅H₈NO₄	0
Hexanoylglycine	−172.1	C₈H₁₄NO₃	0.1
Ibuprofen	−205.1	C₁₃H₁₇O₂	0
Naproxen	−229.0	C₁₄H₁₃O₃	0.09
Amaranth	−268.3 (2−)	C₂₀H₁₃N₂O₁₀S₃	0.05
Sulfamethazine	−277.1	C₁₂H₁₃N₄O₂S	0.35
Acid Black 1	−285.3 (2−)	C₂₂H₁₄N₆O₉S₂	0.1
Sulfonic Acid	−301.4 (2−)	C₂₈H₁₄N₂O₁₀S₂	0.16
Efavirenz	−314.3	C₁₄H₈ClF₃NO₂	0.41
Acid Orange	−327.3	C₁₆H₁₁N₂O₄S	0.73
Furosemide	−329.0	C₁₂H₁₀ClN₂O₅S	0.64
Fluoroscein	−331.1	C₂₀H₁₁O₅	0.45
Estradiol Sulfate	−351.2	C₁₈H₂₃O₅S	0.92
Acid Red 88	−377.3	C₂₀H₁₃N₂O₄S	0.72
Tinopal SFP	−390.0 (3−)		0.17
Acid Red 151	−431.3	C₂₂H₁₅N₄O₄S	0.90
Aztreonam	−434.0	C₁₃H₁₆N₅O₈S₂	0.81
Taurocholic Acid	−514.3	C₂₆H₄₄NO₇S	1.20
Fosinopril	−562.3	C₃₀H₄₅NO₇P	0.76
Bromophenol	−669.1	C₁₉H₉Br₄O₅S	0.71
Acid Yellow 151 Dimer	−807.3	C₃₂H₃₂N₈O₁₀S₂Fe	0.42
Digitoxin	−809.5	C₄₁H₆₃O₁₃	0.75
Digoxin	−825.4	C₄₁H₆₃O₁₄	0.91