摘要：Diamondoids and their analogs, as an important class of cage compounds, are not only measuring sticks for crustal evolution but also archetypal macroscopic molecules that are valuable for material science. Unfortunately, the synthesis of higher diamondoids (C22-tetra-cage and higher) is extremely difficult, and the discovery of naturally existing members has ground to a standstill. Here, two categories of diamondoid compounds, namely thiaethanodiamondoids (1–7 cages) and higher ethanodiamondoids (4–7 cages), were discovered and identified for the first time in the crude oil. Thiaethanodiamondoid was introduced as a new member of diamondoid family. The fresh discovery relied on a multi-dimensional mass spectrometry (MS) strategy. Ultra-high resolution MS, tandem MS, and trapped ion mobility spectrometry MS (TIMS-MS) were combined to achieve structural characterization. Development of solvent-assisted atmospheric pressure chemical ionization (APCI) for clean and soft ionization of higher hydrocarbons, introduction of ion mobility resolution to distinguish isomers, and establishment of correlations between compound structures and collision cross section (CCS) values provided insights into the configurational complexity resulting from cage-fusion. The proposed methodology can drive the discovery of natural products existing in complex matrices at low concentrations (sub-ppm). ? 2023

ISSN号：0009-2509

卷、期、页：卷273

发表日期：2023-06-05

影响因子：0.000000

期刊分区（SCI为中科院分区）：二区

收录情况：SCI（科学引文索引印刷版）,EI（工程索引）,SCIE（科学引文索引网络版）

发表期刊名称：Chemical Engineering Science

参与作者：朱光有,王萌

通讯作者：王英豪,傅达理,谢青青

第一作者：吴建勋,史权,徐春明,韩晔华

论文类型：期刊论文

论文概要：王英豪,朱光有,王萌,吴建勋,傅达理,谢青青,史权,徐春明,韩晔华，Discovery of novel cage compounds of diamondoids using multi-dimensional mass spectrometry，Chemical Engineering Science，2023，卷273

论文题目：Discovery of novel cage compounds of diamondoids using multi-dimensional mass spectrometry