PREDICTING MASS-SPECTRA FROM STRUCTURAL INFORMATION

被引:0
|
作者
GASTEIGER, J [1 ]
HANEBECK, W [1 ]
LI, X [1 ]
PALFREYMANN, N [1 ]
RAFEINER, K [1 ]
SCHULZ, KP [1 ]
SIMON, V [1 ]
机构
[1] TECH UNIV MUNICH, INST ORGAN CHEM, W-8046 GARCHING, GERMANY
来源
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1991年 / 202卷
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:5 / COMP
相关论文
共 50 条
  • [1] PREDICTION OF MASS-SPECTRA FROM STRUCTURAL INFORMATION
    GASTEIGER, J
    HANEBECK, W
    SCHULZ, KP
    JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1992, 32 (04): : 264 - 271
  • [2] SPUTTERING OF LARGE CLUSTERS - INFORMATION FROM MASS-SPECTRA
    URBASSEK, HM
    RADIATION EFFECTS AND DEFECTS IN SOLIDS, 1989, 109 (1-4): : 293 - 300
  • [3] COMBINATORIAL INFORMATION-CONTENT OF MASS-SPECTRA
    JERKOVICH, G
    HORVATH, G
    LANGO, J
    INTERNATIONAL JOURNAL OF MASS SPECTROMETRY AND ION PROCESSES, 1983, 47 (JAN): : 329 - 332
  • [4] MASS-SPECTRA
    不详
    ADVANCES IN PROSTAGLANDIN THROMBOXANE AND LEUKOTRIENE RESEARCH, 1989, 18 : 13 - 520
  • [5] EXTRACTION OF STRUCTURAL INFORMATION FROM MASS-SPECTRA USING COMPUTER - ANALYTICAL POSSIBILITIES OF THE COMPAS-MS SYSTEM
    LEBEDEV, KS
    KIRSHANSKII, SP
    NEKHOROSHEV, SA
    DERENDYAEV, BG
    JOURNAL OF ANALYTICAL CHEMISTRY OF THE USSR, 1987, 42 (07): : 1053 - 1061
  • [6] ISOTOPE ABUNDANCES FROM MASS-SPECTRA
    ROZETT, RW
    ANALYTICAL CHEMISTRY, 1974, 46 (14) : 2085 - 2089
  • [7] MASS-SPECTRA OF ALICYCLIC COMPOUNDS .7. THE MASS-SPECTRA OF THIACYCLOALKANOLS
    REMANE, H
    HERZSCHUH, R
    ORGANIC MASS SPECTROMETRY, 1980, 15 (07): : 380 - 381
  • [8] MASS-SPECTRA OF HYDROXYMETHYLANTHRAQUINONES
    METWALLY, SA
    GADALLA, AA
    INDIAN JOURNAL OF CHEMISTRY SECTION B-ORGANIC CHEMISTRY INCLUDING MEDICINAL CHEMISTRY, 1976, 14 (01): : 50 - 53
  • [9] MASS-SPECTRA OF AZABICYCLOSPIROHYDANTOINS
    TRIGO, GG
    BALLESTEROS, P
    ESPADA, M
    SANTOS, E
    GALVEZ, E
    AVENDANO, C
    MARTINEZ, M
    JOURNAL OF HETEROCYCLIC CHEMISTRY, 1980, 17 (07) : 1417 - 1424
  • [10] MASS-SPECTRA OF RIFAMYCINS
    ZERILLI, LF
    LANDI, M
    RIMORINI, N
    GALLO, GG
    ANNALI DI CHIMICA, 1974, 64 (3-4) : 199 - 206