Characteristic chromatographic fingerprint study of short-chain fatty acids. in human milk, infant formula, pure milk and fermented milk by gas

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Supporting Information to: Characteristic chromatographic fingerprint study of short-chain fatty acids in human milk, infant formula, pure milk and fermented milk by gas chromatography-mass spectrometry Zhenzuo Jiang a,c, Yanan Liu b, Yan Zhu a,c, Jing Yang a,c, Lili Sun b, Xin Chai a,c, and Yuefei Wang a,c* Affiliation: a Tianjin State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 300193, PR China b College of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 300193, PR China c Research and Development Center of TCM, Tianjin International Joint Academy of Biotechnology and Medicine, Tianjin 300457, PR China *Corresponding author: Yuefei Wang E-mail: wangyuefei_2006@hotmail.com (Y.W.) Tel:/Fax:+86-22-27386453

Figure S1. The representative TIC profile of GC-MS of human milk.

Figure S2. The typical spectrum and fragmentation pathway of hexanoic acid.

Figure S3. The boxplot of SCFAs in human milk, infant formula, pure milk and fermented milk.

Table S1 The information of milk products samples used in this analysis Sample Code Brand Manufacturer, Country Infant formula IF-1 Abbott Abbott Laboratories, USA IF-2 Aptamil Nutricia, Germany IF-3 Wyeth Wyeth Company, USA IF-4 Heinz H.J. Heinz Company, USA IF-5 Mead Johnson Mead Johnson company, USA Pure milk PM-1 Saliter whole fat milk J.M. Gaeblersaleet dairy Limited by Share Ltd., Germany PM-2 Emmi swiss premium milk Emmi swiss company, Switzerland PM-3 Del Leche skimmed pure milk France PM-4 Weidendor of pure milk Hochwald Foods GmbH, Germany PM-5 Mlilkana pure milk BONGRAIN Group, France PM-6 SUKI pure milk Germany PM-7 SanYuan skimmed milk Beijing SanYuan Group Co., Ltd., China PM-8 GuangMing fresh pasteurized milk Bright Diary Group Co., Ltd., China PM-9 GuangMing fresh milk Bright Diary Group Co., Ltd., China PM-10 SanYuan premium fresh milk Beijing SanYuan Group Co., Ltd., China PM-11 YiLi pure milk Inner Mongolia Yili Industrial Group Limited by Share Ltd., China PM-12 MengNiu pure milk Inner Mongolia MengNiu Diary Group Limited by Share Ltd., China Fermented milk FM-1 SanYuan fermented milk Beijing SanYuan Group Co., Ltd., China FM-2 HaiHe fermented milk Tianjin HaiHe Diary Group Limited by Share Ltd., China FM-3 YiLi Purjoy fermented milk Inner Mongolia Yili Industrial Group Limited by Share Ltd., China FM-4 YiLi Changqing fermented milk Inner Mongolia Yili Industrial Group Limited by Share Ltd., China FM-5 Parmalat fermented milk Tianjin HaiHe Diary Group Limited by Share Ltd., China FM-6 HaiHe fermented milk with probiotics Tianjin HaiHe Diary Group Limited by Share Ltd., China FM-7 HaiHe fermented milkⅡ Tianjin HaiHe Diary Group Limited by Share Ltd., China FM-8 MengNiu fermented milk Inner Mongolia MengNiu Diary Group Limited by Share Ltd., China

Table S2 The information of human milk from six mothers during the first eight weeks post-partum Mother No. Week Code Mother No. Week Code Mother No. Week Code 1 1 HM-1-1 2 1 HM-2-1 3 1 HM-3-1 2 HM-1-2 2 HM-2-2 2 HM-3-2 3 HM-1-3 3 HM-2-3 3 HM-3-3 4 HM-1-4 4 HM-2-4 4 HM-3-4 5 HM-1-5 5 HM-2-5 5 HM-3-5 6 HM-1-6 6 HM-2-6 6 HM-3-6 7 HM-1-7 7 HM-2-7 7 HM-3-7 8 HM-1-8 8 HM-2-8 8 HM-3-8 4 1 5 1 6 1 HM-6-1 2 HM-4-2 2 2 HM-6-2 3 HM-4-3 3 HM-5-3 3 HM-6-3 4 HM-4-4 4 HM-5-4 4 HM-6-4 5 HM-4-5 5 HM-5-5 5 HM-6-5 6 HM-4-6 6 HM-5-6 6 HM-6-6 7 HM-4-7 7 HM-5-7 7 HM-6-7 8 HM-4-8 8 HM-5-8 8 HM-6-8 in the table means samples were not collected.

Table S3 Species of bacteria used during the fermentation process of fermented milk Sample Manufacturer Number of bacteria Species of bacteria FM-1 SanYuan 2 Streptococcus thermophiles; Lactobacillus bulgaricus FM-2 HaiHe 2 Streptococcus thermophiles; Lactobacillus bulgaricus FM-3 YiLi 4 Streptococcus thermophiles; Lactobacillus bulgaricus; Bifidobacterium lactis; Lactobacillus acidophilus FM-4 YiLi 7 Streptococcus thermophiles; Lactobacillus bulgaricus; Bifidobacterium lactis; Lactobacillus acidophilus; Bifidobacterium longum; Lactococcuslactissubsp.Cremoris; Lactococcuslactissubsp.lactis FM-5 Parmalat 3 Streptococcus thermophiles; Lactobacillus bulgaricus; Bifidobacterium lactis FM-6 HaiHe 3 Streptococcus thermophiles; Lactobacillus bulgaricus; Bifidobacterium lactis FM-7 HaiHe 2 Streptococcus thermophiles; Lactobacillus bulgaricus FM-8 MengNiu 3 Streptococcus thermophiles; Lactobacillus bulgaricus; Bifidobacterium BB-12