顶空/气相色谱-质谱联用结合化学计量学分析金属油墨印刷纸制品中气味物质  

Determination of Odour Substances in Metallic Ink-printed Paper⁃boards by Headspace Gas Chromatography-Mass Spectrometry with Chemometrics Approach

作　　者：景波 杨青华 林勤保[1] JING Bo;YANG Qing-hua;LIN Qin-bao(Key Laboratory of Product Packaging and Logistics,Packaging Engineering Institute,Jinan University,Zhuhai 519070,China)

机构地区：[1]暨南大学包装工程研究所,产品包装与物流广东普通高校重点实验室,广东珠海519070

出　　处：《分析测试学报》2022年第6期873-881,共9页Journal of Instrumental Analysis

摘　　要：利用顶空/气相色谱-质谱联用法结合化学计量学分析3种原纸板及3种金属油墨印刷纸板中的挥发性物质及其差异。将样品剪裁后经顶空/气相色谱-质谱(HS/GC-MS)检测,结合MS-DIAL软件解卷积、NIST质谱库和物质保留指数定性分析,采用峰面积归一法计算各物质的相对含量,并计算相对气味活性值(ROAV),分析金属油墨印刷纸板中关键气味贡献物质及其影响。结果表明,所有纸样中共检出63种化合物,其中鉴定出46种挥发性物质,包括醛类、酮类、烷烃类和烯烃类等化合物。金属油墨印刷后使得纸板产生更多醛酮类挥发性化合物,影响纸板整体的气味特征。筛选出苯甲醛、正辛醛、(E,E)-2,4-庚二烯醛、正癸醇、2-戊基呋喃等19种关键气味物质,建立主成分分析(PCA)、正交偏最小二乘判别分析(OPLS-DA)及层次聚类分析(HCA)模型,区分效果不明显,结果说明这些物质在不同原纸板及其金属油墨印刷纸板中均有分布。A headspace gas chromatography-mass spectrometry(HS/GC-MS)with chemometrics was developed for analysis of the main volatile substances in three raw paperboards and three metallic ink-printed paperboard samples.The volatile substances in sample fragments were analyzed by HS/GC-MS,followed by MS-DIAL deconvolution,NIST mass library and retention index match.Meanwhile,the relative contents of peaks as well as the relative odour active values(ROAV)were calculated to analyze the key odour substances and their impacts.The results obtained showed that,a total of 63 volatile compounds were detected in all paperboard samples,of which 46 volatile com⁃pounds were identified,mainly including aldehyde,ketones,alkane and alkene substances.More aldehydes and ketones compounds were found in the paperboard samples printed with different metal⁃lic inks,affecting the overall sensory evaluation.19 key odour substances were selected,including benzenaldehyde,n-octanaldehyde,(E,E)-2,4-hepadienaldehyde,n-decanol,2-amylfuran,and their models of principal component analysis(PCA),orthogonal partial least squares discriminant analysis(OPLS-DA)and hierarchical cluster analysis(HCA)were established,showing that the key odour substances(ROAV>10)had unconspicuous effect and distributed in different raw paper⁃boards and the metallic ink-printed products.

关 键 词：顶空/气相色谱-质谱法 多元统计学 金属油墨 挥发性物质 气味 

分 类 号：O657.7[理学—分析化学] TS206.4[理学—化学]