COMPUTER-PREDICTION OF MOLECULAR-WEIGHTS FROM MASS-SPECTRA

被引：22

作者：

MUN, IK ^{[1
]}

VENKATARAGHAVAN, R ^{[1
]}

MCLAFFERTY, FW ^{[1
]}

机构：

[1] CORNELL UNIV,DEPT CHEM,BAKER LAB,ITHACA,NY 14853

来源：

ANALYTICAL CHEMISTRY | 1981年 / 53卷 / 02期

关键词：

D O I：

10.1021/ac00225a012

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

引用

页码：179 / 182

页数：4

共 21 条

[1]

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[2]

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[3] COMPUTER-AIDED INTERPRETATION OF MASS-SPECTRA .14. STIRS PREDICTION OF RINGS-PLUS-DOUBLE-BONDS VALUES [J].

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MCLAFFERTY, FW .

ORGANIC MASS SPECTROMETRY, 1977, 12 (01) :53-54

[4] COMPUTER-AIDED INTERPRETATION OF MASS-SPECTRA .9. INFORMATION ON SUBSTRUCTURAL PROBABILITIES FROM STIRS [J].

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PESYNA, GM ;

VENKATARAGHAVAN, R ;

MCLAFFERTY, FW .

ORGANIC MASS SPECTROMETRY, 1976, 11 (05) :529-542

[5] APPLICATIONS OF ARTIFICIAL INTELLIGENCE FOR CHEMICAL INFERENCE .14. GENERAL METHOD FOR PREDICTING MOLECULAR IONS IN MASS-SPECTRA [J].

DROMEY, RG ;

BUCHANAN, BG ;

SMITH, DH ;

LEDERBERG, J ;

DJERASSI, C .

JOURNAL OF ORGANIC CHEMISTRY, 1975, 40 (06) :770-774

[6] COMPUTERIZED MASS-SPECTRUM PREDICTION AND RANKING [J].

GRAY, NAB ;

CARHART, RE ;

LAVANCHY, A ;

SMITH, DH ;

VARKONY, T ;

BUCHANAN, BG ;

WHITE, WC ;

CREARY, L .

ANALYTICAL CHEMISTRY, 1980, 52 (07) :1095-1102

[7]

HARAKI KS, 1980, THESIS CORNELL U

[8] COMPUTATION OF SOME MOLECULAR-WEIGHTS [J].

JARDINE, A ;

REED, RI ;

SILVA, MES .

ORGANIC MASS SPECTROMETRY, 1973, 7 (05) :601-609

[9]

KNUTH DE, 1974, STRUCTURED PROGRAMMI, V6

[10] COMPUTER-AIDED INTERPRETATION OF MASS-SPECTRA .3. SELF-TRAINING INTERPRETIVE AND RETRIEVAL SYSTEM [J].

KWOK, KS ;

VENKATAR.R ;

MCLAFFER.FW .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (13) :4185-4194

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