SIMPLE TOOLS FOR THE COMPUTER-AIDED INTERPRETATION OF MASS-SPECTRA

被引：8

作者：

HEUERDING, S ^{[1
]}

CLERC, JT ^{[1
]}

机构：

[1] UNIV BERN, DEPT PHARM, BALZERSTR 5, CH-3012 BERN, SWITZERLAND

来源：

CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS | 1993年 / 20卷 / 01期

关键词：

D O I：

10.1016/0169-7439(93)80021-9

中图分类号：

TP [自动化技术、计算机技术];

学科分类号：

0812 ;

摘要：

Simple programs to obtain from low-resolution mass spectra self-consistent sets of plausible estimates for the molecular mass and the elemental composition of the more important peaks are described. The algorithms used are given in detail.

引用

页码：57 / 69

页数：13

共 50 条

[1] COMPUTER-AIDED INTERPRETATION OF MASS-SPECTRA .24. COMPUTER IDENTIFICATION OF MASS-SPECTRA
MCLAFFERTY, FW
[J]. PURE AND APPLIED CHEMISTRY, 1978, 50 (03) : 197 - 203
[2] COMPUTER-AIDED INTERPRETATION OF MASS-SPECTRA .13. QUALITY INDEX FOR REFERENCE MASS-SPECTRA
SPECK, DD
VENKATARAGHAVAN, R
MCLAFFERTY, FW
[J]. ORGANIC MASS SPECTROMETRY, 1978, 13 (04): : 209 - 213
[3] COMPUTER-AIDED INTERPRETATION OF MASS SPECTRA
VENKATAR.R
MCLAFFER.FW
VANLEAR, GE
[J]. ORGANIC MASS SPECTROMETRY, 1969, 2 (01): : 1 - &
[4] COMPUTER-AIDED ANALYSIS OF ORGANIC MASS-SPECTRA
HENNEBERG, D
ZIEGLER, E
WEIMANN, B
CASPER, K
[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1972, 11 (05) : 357 - +
[5] COMPUTER-AIDED PROCESSING OF LASER MICROPROBE MASS-SPECTRA
WOUTERS, L
MICHAUD, D
VANGRIEKEN, R
[J]. MIKROCHIMICA ACTA, 1993, 110 (1-3) : 31 - 40
[6] COMPUTER-AIDED IDENTIFICATION OF COMPOUNDS BY COMPARISON OF MASS-SPECTRA
DOMOKOS, L
HENNEBERG, D
WEIMANN, B
[J]. ANALYTICA CHIMICA ACTA, 1984, 165 (NOV) : 61 - 74
[7] COMPUTER-AIDED INTERPRETATION OF MASS-SPECTRA BY A COMBINATION OF LIBRARY SEARCH WITH PRINCIPAL COMPONENT ANALYSIS
VARMUZA, K
WERTHER, W
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WEIMANN, B
[J]. RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 1990, 4 (05) : 159 - 162
[8] COMPUTER-AIDED INTERPRETATION OF MASS-SPECTRA USING DATABASES WITH SPECTRA AND STRUCTURES .1. STRUCTURE SEARCHES
HENNEBERG, D
WEIMANN, B
ZALFEN, U
[J]. ORGANIC MASS SPECTROMETRY, 1993, 28 (03): : 198 - 206
[9] COMPUTER-AIDED INTERPRETATION OF HIGH RESOLUTION MASS SPECTRA
BIEMANN, K
MCMURRAY, W
[J]. TETRAHEDRON LETTERS, 1965, (11) : 647 - &
[10] COMPUTER-AIDED INTERPRETATION OF MASS-SPECTRA .9. INFORMATION ON SUBSTRUCTURAL PROBABILITIES FROM STIRS
DAYRINGER, HE
PESYNA, GM
VENKATARAGHAVAN, R
MCLAFFERTY, FW
[J]. ORGANIC MASS SPECTROMETRY, 1976, 11 (05): : 529 - 542

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