In-depth organic mass cytometry reveals differential contents of 3-hydroxybutanoic acid at the single-cell level

1. The “Source data” contains all original data obtained from the in-depth organic mass cytometry (ID-organic cytoMS) developed in this work, including
1). Figure 2a: Original extracted ion chromatograms (EICs) data of endogenous metabolites PC (34:1), PC (32:1) and PC (36:2) with cells.
2). Figure 2c: m/z data of representative single-cell MS spectra of ID-organic cytoMS and organic mass cytometry in negative mode.
3). Figure 3a: Typical EIC data of PC (18:0_16:1) within two single cells with acquisition mode of Full MS-ddMS2 (Top7).
4). Figure 4a-4c: Obtained MS/MS data of ions of a (PC (15:1_18:1) and PE (18:1_18:1)); b (5-aminovaleric acid and valine); c (4-hydroxybutanoic acid and 3-hydroxybutanoic acid). Relative abundance distribution among 60 single cells was shown, respectively.
5). Figure 5c: Box plot data of GHB isomers relative abundance distribution among 3 clusters.
6). Figure 6b-d: b. Box plot data of normalized expression level of MT2A and hnRNP A1 among clusters c. Box plot data of BHB relative abundance among cell populations with different fluorescence intensity of GFP (MT2A). d. Box plot data of BHB relative abundance among cell populations with fluorescence intensity of Mcherry (hnRNP A1).
7). SI Figure 5: m/z data of representative single-cell MS spectrum of ID-organic cytoMS and organic mass cytometry in positive mode.
8). SI Figure 18: Bar plot data of expression level of MCF-7 specific cell markers. Standard deviation data (Error bar) was also shown.
9). SI Figure 20: Bar plot data of normalized expression level of PON3, AKR7A2 and ALDH5A1 among 3 cell clusters. Standard deviation data (Error bar) was also shown.
2. The “Supplemental Dataset 1” contains the list of identified metabolites from single MCF-7 cells in negative and positive mode, respectively.
3. The “Supplemental Dataset 2” contains the list of differential expressed genes among clusters.