应助达人

EI 276259张质谱图，242477个化合物。

应助达人

NIST 14 Components

NIST 14 is not just a mass spectral library. It contains these components:
?Electron ionization (EI) mass spectral library - 276,259 carefully evaluated spectra of 242,477 unique compounds, with identifications, nearly all with chemical structures. You may search names of NIST compounds online.
?MS/MS library - 234,284 spectra: 51,216 ion trap spectra for 42,126 different ions of 8,171 compounds, and 183,068 collision cell spectra (qtof and tandem quad) spectra for 14,835 different ions of 7,692 compounds. (Also available separately as the NIST MS/MS Database.)
?Gas Chromatography (gc) data library - 385,872 retention index values (Kovats/Lee) for 82,337 compounds (50,461 in the EI library), covering both polar and non-polar columns. Includes retention indices with gc column conditions and literature citations. (Also available separately as the NIST gc Database.)

谢谢朱老师

为什么质谱图比化合物多呢？

应助达人

都一四了,还在用11的

应助达人

一个单一化合物可能收集多个来源的质谱图。

应助达人

升级吧，没一套最新吧。其实11目前还不错，14增加一些化合物，对于香精检测更好。

应助达人

我有NIST14 (安捷伦的，如何转化为岛津格式的？)有懂得吗？

应助达人

请问岛津的工作站有JAMP格式的读写功能吗？

应助达人

应该很大吧。