M/Z: 847.557

Hit 4 annotations: Calenduloside G methyl ester_[M+K]+; PA(22:0/6 keto-PGF1alpha)_[M+H]+; PE(20:2(11Z,14Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))_[M-H2O+NH4]+; PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))_[M+H]+

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 9 Reference Ions Near m/z 847.557

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000006894 Reliable	847.5559	847.5557 ~ 847.556 MzDiff: `1.0 ppm`	PA(22:0/6 keto-PGF1alpha) (BioDeep_00000190574) Formula: C45H83O12P (846.5622)	5.24 (100%)	Rattus norvegicus [UBERON:0004358] caput epididymis
MSI_000017378 Reliable	847.5544	847.5542 ~ 847.5545 MzDiff: `1.4 ppm`	Calenduloside G methyl ester (BioDeep_00000023846) Formula: C43H68O14 (808.4609)	2.58 (100%)	Vitis vinifera [PO:0009087] mesocarp
MSI_000021676 Unreliable	847.5556	847.5556 ~ 847.5556 MzDiff: `none`	PA(22:0/6 keto-PGF1alpha) (BioDeep_00000190574) Formula: C45H83O12P (846.5622)	0.74 (100%)	Mus musculus [UBERON:0001499] muscle of arm
MSI_000026567 Unreliable	847.5485	847.5485 ~ 847.5485 MzDiff: `none`	PE(20:2(11Z,14Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000187090) Formula: C47H78NO10P (847.5363)	1.79 (100%)	Mus musculus [UBERON:0002048] lung
MSI_000028122 Unreliable	847.5501	847.5501 ~ 847.5501 MzDiff: `none`	PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) (BioDeep_00000108954) Formula: C48H79O10P (846.5411)	1.92 (100%)	Macropus giganteus [UBERON:0001891] midbrain
MSI_000031029 Unreliable	847.5501	847.5501 ~ 847.5501 MzDiff: `none`	PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) (BioDeep_00000108954) Formula: C48H79O10P (846.5411)	0.25 (100%)	Macropus giganteus [UBERON:0003027] cingulate cortex
MSI_000031859 Unavailable	847.5501	847.5501 ~ 847.5501 MzDiff: `none`	PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) (BioDeep_00000108954) Formula: C48H79O10P (846.5411)	-0.23 (100%)	Macropus giganteus [UBERON:0006093] precuneus cortex
MSI_000028218 Unreliable	847.5599	847.5599 ~ 847.5599 MzDiff: `none`	PA(22:0/6 keto-PGF1alpha) (BioDeep_00000190574) Formula: C45H83O12P (846.5622)	1.67 (100%)	Macropus giganteus [UBERON:0001891] midbrain
MSI_000031776 Unavailable	847.5599	847.5599 ~ 847.5599 MzDiff: `none`	PA(22:0/6 keto-PGF1alpha) (BioDeep_00000190574) Formula: C45H83O12P (846.5622)	-0.13 (100%)	Macropus giganteus [UBERON:0006093] precuneus cortex

Found 21 Sample Hits

Metabolite	Species	Sample
Calenduloside G methyl ester Formula: C43H68O14 (808.4609) Adducts: [M+K]+ (Ppm: 4.9)	Vitis vinifera (Fruit)	grape_dhb_91_1 Resolution: 50μm, 120x114 Description Grape berries fruit, condition: Ripe
PA(22:0/6 keto-PGF1alpha) Formula: C45H83O12P (846.5622) Adducts: [M+H]+ (Ppm: 14.9)	Rattus norvegicus (Epididymis)	epik_dhb_head_ito03_18 Resolution: 17μm, 208x104 Description
PA(22:0/6 keto-PGF1alpha) Formula: C45H83O12P (846.5622) Adducts: [M+H]+ (Ppm: 15.5)	Rattus norvegicus (Epididymis)	epik_dhb_head_ito08_44 Resolution: 17μm, 299x111 Description
Calenduloside G methyl ester Formula: C43H68O14 (808.4609) Adducts: [M+K]+ (Ppm: 5.2)	Vitis vinifera (Fruit)	grape_dhb_164_1 Resolution: 17μm, 136x122 Description Grape berries fruit, condition: Late
Calenduloside G methyl ester Formula: C43H68O14 (808.4609) Adducts: [M+K]+ (Ppm: 4.9)	Vitis vinifera (Fruit)	grape_dhb_163_1 Resolution: 17μm, 132x115 Description Grape berries fruit, condition: Late
PA(22:0/6 keto-PGF1alpha) Formula: C45H83O12P (846.5622) Adducts: [M+H]+ (Ppm: 16)	Rattus norvegicus (Epididymis)	epik_dhb_head_ito08_47 Resolution: 17μm, 301x111 Description
PA(22:0/6 keto-PGF1alpha) Formula: C45H83O12P (846.5622) Adducts: [M+H]+ (Ppm: 16.2)	Rattus norvegicus (Epididymis)	epik_dhb_head_ito08_48 Resolution: 17μm, 294x107 Description
PA(22:0/6 keto-PGF1alpha) Formula: C45H83O12P (846.5622) Adducts: [M+H]+ (Ppm: 15.4)	Rattus norvegicus (Epididymis)	epik_dhb_head_ito01_04 Resolution: 17μm, 178x91 Description
PA(22:0/6 keto-PGF1alpha) Formula: C45H83O12P (846.5622) Adducts: [M+H]+ (Ppm: 15.4)	Rattus norvegicus (Epididymis)	epik_dhb_head_ito01_03 Resolution: 17μm, 159x110 Description
PA(22:0/6 keto-PGF1alpha) Formula: C45H83O12P (846.5622) Adducts: [M+H]+ (Ppm: 15.2)	Rattus norvegicus (Epididymis)	epik_dhb_head_ito01_06 Resolution: 17μm, 183x103 Description
PA(22:0/6 keto-PGF1alpha) Formula: C45H83O12P (846.5622) Adducts: [M+H]+ (Ppm: 15.6)	Rattus norvegicus (Epididymis)	epik_dhb_head_ito03_14 Resolution: 17μm, 205x103 Description
PE(20:2(11Z,14Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) Formula: C47H78NO10P (847.5363) Adducts: [M-H2O+NH4]+ (Ppm: 9.8)	Mus musculus (Lung)	image1 Resolution: 40μm, 187x165 Description Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5
PA(22:0/6 keto-PGF1alpha) Formula: C45H83O12P (846.5622) Adducts: [M+H]+ (Ppm: 16.4)	Mus musculus (Left upper arm)	357_l_total ion count Resolution: 50μm, 97x131 Description Diseased
PA(22:0/6 keto-PGF1alpha) Formula: C45H83O12P (846.5622) Adducts: [M+H]+ (Ppm: 11.3)	Macropus giganteus (Brain)	170321_kangaroobrain-dan3-pos_maxof50.0_med1 Resolution: 50μm, 81x50 Description Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) Formula: C48H79O10P (846.5411) Adducts: [M+H]+ (Ppm: 4.8)	Homo sapiens (esophagus)	LNTO22_1_3 Resolution: 75μm, 121x68 Description
PA(22:0/6 keto-PGF1alpha) Formula: C45H83O12P (846.5622) Adducts: [M+H]+ (Ppm: 8.6)	Homo sapiens (esophagus)	LNTO26_7_3 Resolution: 75μm, 82x88 Description
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) Formula: C48H79O10P (846.5411) Adducts: [M+H]+ (Ppm: 5.9)	Homo sapiens (esophagus)	LNTO22_1_8 Resolution: 75μm, 69x61 Description
PE(20:2(11Z,14Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) Formula: C47H78NO10P (847.5363) Adducts: [M-H2O+NH4]+ (Ppm: 8.3)	Homo sapiens (esophagus)	LNTO22_2_2 Resolution: 75μm, 135x94 Description
m/z_847.5545 Formula: - (n/a) Adducts: (Ppm: 0)	Homo sapiens (colorectal adenocarcinoma)	240TopL, 210TopR, 230BottomL, 220BottomR-centroid Resolution: 50μm, 142x141 Description
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) Formula: C48H79O10P (846.5411) Adducts: [M+H]+ (Ppm: 1.7)	Homo sapiens (colorectal adenocarcinoma)	120TopL, 90TopR, 110BottomL, 100BottomR-centroid Resolution: 50μm, 132x136 Description
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) Formula: C48H79O10P (846.5411) Adducts: [M+H]+ (Ppm: 10.2)	Drosophila melanogaster (brain)	Drosophila18 Resolution: 5μm, 686x685 Description Sample information Organism: Drosophila melanogaster Organism part: Brain Condition: Healthy Sample preparation Sample stabilisation: Frozen Tissue modification: Frozen MALDI matrix: 2,5-dihydroxybenzoic acid (DHB) MALDI matrix application: TM sprayer Solvent: Aceton/water MS analysis Polarity: Positive Ionisation source: Prototype Analyzer: Orbitrap Pixel size: 5μm × 5μm Annotation settings m/z tolerance (ppm): 3 Analysis version: Original MSM Pixel count: 469910 Imzml file size: 696.23 MB Ibd file size: 814.11 MB