M/Z: 821.5806

Hit 4 annotations: PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))_[M+H]+; SM(d19:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))_[M+H]+; PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))_[M-H2O+NH4]+; PS(15:0/22:1(13Z))_[M+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 5 Reference Ions Near m/z 821.5806

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000047772 Unreliable	821.5853	821.5853 ~ 821.5853 MzDiff: `none`	Not Annotated	2.12 (0%)	Homo sapiens [UBERON:0013067] colorectal mucosa
MSI_000052273 Unreliable	821.5775	821.5775 ~ 821.5775 MzDiff: `none`	Not Annotated	2.23 (0%)	Homo sapiens [UBERON:0001052] rectum
MSI_000065682 Unreliable	821.5896	821.589 ~ 821.5899 MzDiff: `3.7 ppm`	PS(15:0/22:1(13Z)) (BioDeep_00000104697) Formula: C43H82NO10P (803.5676)	1.84 (100%)	Homo sapiens [UBERON:0001155] colon
MSI_000043992 Unreliable	821.5885	821.5885 ~ 821.5885 MzDiff: `none`	SM(d19:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000215689) Formula: C46H81N2O8P (820.573)	2.07 (100%)	Rattus norvegicus [UBERON:0002264] olfactory bulb
MSI_000058351 Unreliable	821.5896	821.5896 ~ 821.5896 MzDiff: `none`	PS(15:0/22:1(13Z)) (BioDeep_00000104697) Formula: C43H82NO10P (803.5676)	1.15 (100%)	Homo sapiens [UBERON:0007779] transudate

Found 9 Sample Hits

Metabolite	Species	Sample
PA(22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C47H81O9P (820.5618) Adducts: [M+H]+ (Ppm: 12)	Mus musculus (Lung)	image3 Resolution: 40μm, 146x190 Description Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). Ion images of (A) m/z 796.6856 ([U13C-DPPC+Na]+), (B) m/z 756.5154 [PC32:0+Na]+), and (C) m/z 765.6079 ([D9-PC32:0+Na]+). D: Overlay image of [U13C-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). 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. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.
SM(d19:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) Formula: C46H81N2O8P (820.573) Adducts: [M+H]+ (Ppm: 0.6)	Homo sapiens (esophagus)	LNTO29_16_2 Resolution: 17μm, 95x101 Description
PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C46H80NO9P (821.557) Adducts: [M-H2O+NH4]+ (Ppm: 3.4)	Homo sapiens (colorectal adenocarcinoma)	80TopL, 50TopR, 70BottomL, 60BottomR-profile Resolution: 17μm, 137x136 Description The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).
SM(d19:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) Formula: C46H81N2O8P (820.573) Adducts: [M+H]+ (Ppm: 2.6)	Homo sapiens (colorectal adenocarcinoma)	520TopL, 490TopR, 510BottomL, 500BottomR-profile Resolution: 17μm, 147x131 Description The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).
m/z_821.5775 Formula: - (n/a) Adducts: (Ppm: 0)	Homo sapiens (colorectal adenocarcinoma)	439TopL, 409TopR, 429BottomL, 419BottomR-profile Resolution: 17μm, 157x136 Description The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).
PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C46H80NO9P (821.557) Adducts: [M-H2O+NH4]+ (Ppm: 0.4)	Homo sapiens (NA)	160TopL,130TopR,150BottomL,140BottomR-profile Resolution: 17μm, 142x136 Description
SM(d19:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) Formula: C46H81N2O8P (820.573) Adducts: [M+H]+ (Ppm: 1.6)	Homo sapiens (esophagus)	LNTO29_16_3 Resolution: 17μm, 108x107 Description
m/z_821.5797 Formula: - (n/a) Adducts: (Ppm: 0)	Homo sapiens (esophagus)	LNTO22_1_8 Resolution: 75μm, 69x61 Description
PS(15:0/22:1(13Z)) Formula: C43H82NO10P (803.5676) Adducts: [M+NH4]+ (Ppm: 15.1)	Homo sapiens (colorectal adenocarcinoma)	240TopL, 210TopR, 230BottomL, 220BottomR-centroid Resolution: 50μm, 142x141 Description