Mass Spec

Contamination Masses - complied Mass m/z 33 42 45 59 59 64 65 69 79 83 85 101 102 104 105 106 120 122 123 127 130 144 145 146 147 150 153 157 159 163 167 169 179 186 195 214 214 225 227

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ESI+ Ion (M+H)+ (M+H)+

Compound methanol acetonitrile

(M+NH4)+

acetonitrile

(M+Na)+ (2M+H)+

acetonitrile methanol

(M+H)+ (2M+H)+ (M+H)+ (M+Na)+ (M+H)+ (M+Cu)+ (2M+Na)+ (M+Cu)+ (M+Na+CH3CN)+

DMSO acetonitrile d6-DMSO

(M+H)+ (M+H)+ (M+H)+ (M+H)+ (2M+Cu)+ (3M+Na)+ (2M+Cu)+ (M+H)+ (M+H)+ (2M+H)+ (M+Na)+

(2M+H)+ (2M+Na)+ (M+H)+ (M+H)+ (M+H)+

Mass m/z

ESIIon

45

(HCOO)-

formate

59

(CH3CO2)-

acetate

69

(CF3CO2Na)-

Sodium rifluoracetate, TFA

127

(CF3CO2Na)-

Sodium trifluoracetate, TFA

227

(CF3CO2Na)-

Sodium trifluoracetate, TFA

Compound

DMSO triethylamine (TEA) acetonitrile acetonitrile acetonitrile DMSO Tris dimethylaminopyridine (DMAP) diisopropylethylamine (DIPEA) tripropylamine (TPA) acetonitrile acetonitrile acetonitrile phenyldiethylamine 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) DMSO sodium trifluoroacetate dimethyl phthallate dioctyl phthallate d6-DMSO DMSO tributylamine dimethyl phthallate unidentified contaminant, maybe related to methanol N-butyl benzenesulfonamide dicyclohexyl urea (DCU)

1 of 4

236 239 241 243 249 257 273 279 301 317 338 338 786 360 355 371 391 413 425 429 429 429 445 445 449 454 454 503 519 531 536 538 538 553 555 569 587 609 610 625 638 667

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[(M.HCl)2-Cl]+ [(M.HCl)2-Cl]+ M+

N-butyl benzenesulfonamide triethylamine triethylamine trityl cation 249

(3M+H)+ M+ (M+H)+ (M+Na)+ (M+K)+ (M+H)+ (M+Ti)+ (M+Na)+

(M+H)+ (M+Na)+ (M+Na)+ (M+K)+

(2M+H)+ (M+Na+CH3CN)+

(M+H)+ (acetate)n+(Fe)n+ (M+Na)+ (acetate)n+(Fe)n+ (M+K)+ (M+H)+ (M+Na)+ (M+K)+

(CF3CO2Na)-

Sodium trifluoracetate, TFA

DMSO monomethoxytrityl cation (MMT) dibutylphthalate (plasticiser) dibutylphthalate (plasticiser) dibutylphthalate (plasticiser) erucamide seen with new PEEK tubing titanium adduct erucamide siloxane from silica column siloxane from silica column diisooctyl phthalate (plasticiser) diisooctyl phthalate (plasticiser) unidentified contaminant (plasticiser) diisooctyl phthalate (plasticiser) siloxane from silica column seen with silica capillary NanoSprayer siloxane from silica column see with silica capillary NanoSprayer dicyclohexyl urea (DCU) diisooctyl phthalate (plasticiser) observed with high % formic acid seen with silica capillary NanoSprayer seen with silica capillary NanoSprayer from Nunc polypropylene tubes seen with silica capillary NanoSprayer seen in acetic acid observed with high %acetic acid from Nunc polypropylene tubes seen in acetic acid from Nunc polypropylene tubes from Vangard polypropylene tubes from Vangard polypropylene tubes seen with silica capillary NanoSprayer from Vangard polypropylene tubes seen with silica capillary NanoSprayer seen with silica capillary NanoSprayer

2 of 4

675 679 684 696 701 786 798 803

(M+H)+ (M+NH4)+ (M+Na)+ (M+Ti)+ (2M+NH4)+ (2M+Na)+

seen with new PEEK tubing from purified water and solvent filters see with silica capillary NanoSprayer from purified water and solvent filters from purified water and solvent filters titanium adduct diisooctyl phthalate (plasticiser) diisooctyl phthalate (plasticiser)

Sources of Information MassLynx 3.5 Contamination Finder University of Southampton (UK) Experimental data from Waters/Micromass labs LC Packings Customer issues

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3 of 4

Repeating ESI+

Series

Delta mass m/z

Ion

22 44 61.5 114 136

Na + peptide ethoxy Cu + peptide H + TFA Na + TFA

Compound

PEG, Triton Copper adduct of peptides TFA, (CF3COOH)n H+ TFA, (CF3COOH)n Na+

Sources of Information MassLynx 3.5 Contamination Finder University of Southampton (UK) Experimental data from Waters/Micromass labs LC Packings Customer issues

ESIDelta mass m/z

114 136

Ion

(CF3COOH)n CF3COO(CF3COONa)n CF3COO-

Compound

TFA (trifluroacetic acid) TFA-Na (sodium trifluroacetate)