M/Z: 528.0507

Hit 4 annotations: Calcium lignosulfonate_[M]+; Bis(sulfosuccinimidyl)suberate_[M-H2O+NH4]+; 3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid_[M-H2O+NH4]+; Sulfoglucobrassicin_[M-H2O+NH4]+

在BioDeep NovoCell知识数据库中，参考离子总共被划分为4个级别。

Confirmed: 这个参考离子已经通过手动审计得到确认和验证。
Reliable: 这个参考离子可能在特定的解剖组织环境中高度保守。
Unreliable: 这个参考离子具有较高的排名价值，但缺乏可重复性。
Unavailable: 由于排名价值低且缺乏可重复性，这个参考离子不应用于注释。

Found 13 Reference Ions Near m/z 528.0507

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000054061 Unreliable	528.0454	528.045 ~ 528.0459 MzDiff: `3.6 ppm`	3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid (BioDeep_00002234405) Formula: C16H20N2O12S3 (528.0178)	3.5 (100%)	MALDI - CHCA [NOVOCELL:BACKGROUND] blank
MSI_000013025 Unavailable	528.0469	528.0469 ~ 528.0469 MzDiff: `none`	Calcium lignosulfonate (BioDeep_00000228011) Formula: C20H24CaO10S2 (528.0437)	-0.62 (100%)	Plant [PO:0005020] vascular bundle
MSI_000013841 Unreliable	528.0469	528.0469 ~ 528.0469 MzDiff: `none`	Calcium lignosulfonate (BioDeep_00000228011) Formula: C20H24CaO10S2 (528.0437)	0.04 (100%)	Plant [PO:0005417] phloem
MSI_000015163 Unavailable	528.0469	528.0469 ~ 528.0469 MzDiff: `none`	Calcium lignosulfonate (BioDeep_00000228011) Formula: C20H24CaO10S2 (528.0437)	-0.59 (100%)	Plant [PO:0006036] root epidermis
MSI_000018573 Unreliable	528.0469	528.0469 ~ 528.0469 MzDiff: `none`	Calcium lignosulfonate (BioDeep_00000228011) Formula: C20H24CaO10S2 (528.0437)	1.72 (100%)	Plant [PO:0020124] root stele
MSI_000020208 Unavailable	528.0469	528.0469 ~ 528.0469 MzDiff: `none`	Calcium lignosulfonate (BioDeep_00000228011) Formula: C20H24CaO10S2 (528.0437)	-0.55 (100%)	Plant [PO:0025197] stele
MSI_000032893 Unreliable	528.0448	528.0448 ~ 528.0448 MzDiff: `none`	3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid (BioDeep_00002234405) Formula: C16H20N2O12S3 (528.0178)	0 (100%)	Posidonia oceanica [PO:0005020] vascular bundle
MSI_000033877 Unreliable	528.0448	528.0448 ~ 528.0448 MzDiff: `none`	3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid (BioDeep_00002234405) Formula: C16H20N2O12S3 (528.0178)	0.34 (100%)	Posidonia oceanica [PO:0005352] xylem
MSI_000040191 Unavailable	528.0454	528.0454 ~ 528.0454 MzDiff: `none`	3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid (BioDeep_00002234405) Formula: C16H20N2O12S3 (528.0178)	-0.06 (100%)	Posidonia oceanica [PO:0005417] phloem
MSI_000050521 Unreliable	528.0454	528.0454 ~ 528.0454 MzDiff: `none`	Sulfoglucobrassicin (BioDeep_00000006773) Formula: C16H20N2O12S3 (528.0178)	0 (100%)	Mytilus edulis [UBERON:0009120] gill filament
MSI_000050522 Unreliable	528.0507	528.0507 ~ 528.0507 MzDiff: `none`	Bis(sulfosuccinimidyl)suberate (BioDeep_00000175298) Formula: C16H20N2O14S2 (528.0356)	0 (100%)	Mytilus edulis [UBERON:0009120] gill filament
MSI_000051521 Unreliable	528.0454	528.0454 ~ 528.0454 MzDiff: `none`	Sulfoglucobrassicin (BioDeep_00000006773) Formula: C16H20N2O12S3 (528.0178)	0 (100%)	Mytilus edulis [UBERON:2001856] gill ray
MSI_000051522 Unreliable	528.0507	528.0507 ~ 528.0507 MzDiff: `none`	Bis(sulfosuccinimidyl)suberate (BioDeep_00000175298) Formula: C16H20N2O14S2 (528.0356)	0 (100%)	Mytilus edulis [UBERON:2001856] gill ray

Found 6 Sample Hits

Metabolite	Species	Sample
Calcium lignosulfonate Formula: C20H24CaO10S2 (528.0437) Adducts: [M]+ (Ppm: 7.1)	Plant (Root)	MPIMM_035_QE_P_PO_6pm Resolution: 30μm, 165x170 Description
Bis(sulfosuccinimidyl)suberate Formula: C16H20N2O14S2 (528.0356) Adducts: [M-H2O+NH4]+ (Ppm: 16.6)	Mus musculus (Lung)	image2 Resolution: 40μm, 550x256 Description Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).
3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid Formula: C16H20N2O12S3 (528.0178) Adducts: [M-H2O+NH4]+ (Ppm: 9.1)	Posidonia oceanica (root)	20190613_MS1_A19r-18 Resolution: 17μm, 246x264 Description
Sulfoglucobrassicin Formula: C16H20N2O12S3 (528.0178) Adducts: [M-H2O+NH4]+ (Ppm: 8.9)	Mytilus edulis (mantle)	20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 Resolution: 10μm, 270x210 Description
Bis(sulfosuccinimidyl)suberate Formula: C16H20N2O14S2 (528.0356) Adducts: [M-H2O+NH4]+ (Ppm: 15.4)	Mytilus edulis (gill)	20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210 Resolution: 11μm, 305x210 Description single cell layer `class_4` is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell
Bis(sulfosuccinimidyl)suberate Formula: C16H20N2O14S2 (528.0356) Adducts: [M-H2O+NH4]+ (Ppm: 15.1)	Mytilus edulis (mantle)	20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 Resolution: 10μm, 275x210 Description