Name:
Adduct:
Polarity:
Z:
m/z:
±:
CCS: Å
±: %
SMI:

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ID Name Adduct Structure m/z RT CCS SMI Type Z Ref CCS Type CCS method
CCSBASE_a6ea09af9882081c0b20d5761f5e0f47 N-(4-Methoxyphenyl)-3-oxobutanamide [M+H-H2O]+ 190.0863 0.78 141.78 CC(=O)CC(=O)NC1=CC=C(C=C1)OC  Benzenoids 1 1 TW polyala
CCSBASE_aa8bd6c21e3281450f991ccdc5ebc2de N-(4-Methoxyphenyl)-3-oxobutanamide [M+Na]+ 230.0788 0.76 156.88 CC(=O)CC(=O)NC1=CC=C(C=C1)OC  Benzenoids 1 1 TW polyala
CCSBASE_db053ee2b89b2cd46c4121f2e6322721 N-(Alkyl C10-C16)-N,N-dimethylglycine betaine [M]+ 272.259 0.95 184.19 None Organic acids and derivatives 1 1 TW polyala
CCSBASE_751e33fe5aa887a73c5bce2072c631f9 N,N'-Dibutylurea [M+H]+ 173.1648 0.85 146.23 CCCCN(CCCC)C(=O)N   Organic acids and derivatives 1 1 TW polyala
CCSBASE_8061a76e3d1b50bdbc3cb51c6f1a9411 N,N-Diethylaniline [M+H]+ 150.1277 0.74 131.69 CCN(CC)C1=CC=CC=C1  Organic nitrogen compounds 1 1 TW polyala
CCSBASE_b2d31f0c57d369010e54bf817ed9e308 N,N-Dimethyl-4-nitrosoaniline [M+H]+ 151.0866 0.73 127.13 CN(C)C1=CC=C(C=C1)N=O Organic nitrogen compounds 1 1 TW polyala
CCSBASE_2f49fd4f3681b23dfac36c79e2bca4d0 N,N-Dimethyl-4-nitrosoaniline [M+H-H2O]+ 133.0761 0.73 126.98 CN(C)C1=CC=C(C=C1)N=O Organic nitrogen compounds 1 1 TW polyala
CCSBASE_dac9256e636344858ab3fc7e04b3eba1 N,N'-Ethylenedi-L-aspartic acid [M-H-H2O]- 273.0723 0.24 157.84 C(CNC(CC(=O)O)C(=O)O)NC(CC(=O)O)C(=O)O Organic acids and derivatives -1 1 TW polyala
CCSBASE_6de33507f9ee8430562cb30474d325ad N-[3-(Dimethylamino)propyl]dodecanamide [M+H]+ 285.29 0.86 187.12 CCCCCCCCCCCC(=O)NCCCN(C)C  Lipids and lipid-like molecules 1 1 TW polyala
CCSBASE_588925ca7c91dc29bc331af021b97874 N-[3-(Dimethylamino)propyl]dodecanamide [M+Na]+ 307.272 0.86 190.4 CCCCCCCCCCCC(=O)NCCCN(C)C  Lipids and lipid-like molecules 1 1 TW polyala
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