M/Z: 841.4972

Hit 5 annotations: PG(20:3(5Z,8Z,11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))_[M+H-2H2O]+; PG(20:4(5Z,8Z,11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))_[M+H-H2O]+; Solacauline_[M+NH4]+; PG(18:2(9Z,11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))_[M+H]+; Sulfoquinovosyl diglyceride_[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 10 Reference Ions Near m/z 841.4972

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000046868 Reliable	841.5025	841.502 ~ 841.5027 MzDiff: `2.9 ppm`	PG(20:4(5Z,8Z,11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000194978) Formula: C48H75O11P (858.5047)	7.56 (100%)	Homo sapiens [UBERON:0001043] esophagus
MSI_000055652 Reliable	841.5036	841.5031 ~ 841.504 MzDiff: `3.7 ppm`	Sulfoquinovosyl diglyceride (BioDeep_00000184057) Formula: C45H76O12S (840.5057)	4.93 (57%)	Homo sapiens [UBERON:0001043] esophagus
MSI_000052599 Unreliable	841.4893	841.4893 ~ 841.4893 MzDiff: `none`	Not Annotated	1.36 (%)	Homo sapiens [UBERON:0001052] rectum
MSI_000047680 Unreliable	841.4956	841.4956 ~ 841.4956 MzDiff: `none`	PG(18:2(9Z,11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000194141) Formula: C44H73O13P (840.4789)	2.18 (100%)	Homo sapiens [UBERON:0013067] colorectal mucosa
MSI_000052611 Unreliable	841.4972	841.4972 ~ 841.4972 MzDiff: `none`	PG(18:2(9Z,11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000194141) Formula: C44H73O13P (840.4789)	1.23 (100%)	Homo sapiens [UBERON:0001052] rectum
MSI_000047510 Unreliable	841.5039	841.5039 ~ 841.5039 MzDiff: `none`	Sulfoquinovosyl diglyceride (BioDeep_00000184057) Formula: C45H76O12S (840.5057)	2.25 (100%)	Homo sapiens [UBERON:0013067] colorectal mucosa
MSI_000052618 Unreliable	841.5057	841.5057 ~ 841.5057 MzDiff: `none`	Sulfoquinovosyl diglyceride (BioDeep_00000184057) Formula: C45H76O12S (840.5057)	1.16 (100%)	Homo sapiens [UBERON:0001052] rectum
MSI_000065364 Unreliable	841.5031	841.5031 ~ 841.5031 MzDiff: `none`	PG(20:4(5Z,8Z,11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000194978) Formula: C48H75O11P (858.5047)	2.55 (100%)	Homo sapiens [UBERON:0001155] colon
MSI_000024151 Unreliable	841.4886	841.4886 ~ 841.4886 MzDiff: `none`	PE(DiMe(9,3)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000210028) Formula: C43H70NO12P (823.4635)	0.67 (100%)	Mus musculus [UBERON:0004263] upper arm skin
MSI_000056042 Unavailable	841.5057	841.5057 ~ 841.5057 MzDiff: `none`	Sulfoquinovosyl diglyceride (BioDeep_00000184057) Formula: C45H76O12S (840.5057)	-0.51 (100%)	Homo sapiens [UBERON:0007779] transudate

Found 15 Sample Hits

Metabolite	Species	Sample
PG(20:3(5Z,8Z,11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) Formula: C48H77O12P (876.5152) Adducts: [M+H-2H2O]+ (Ppm: 1.1)	Homo sapiens (esophagus)	LNTO22_1_4 Resolution: 17μm, 82x80 Description
PG(20:4(5Z,8Z,11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C48H75O11P (858.5047) Adducts: [M+H-H2O]+ (Ppm: 0.7)	Homo sapiens (esophagus)	TO42T Resolution: 17μm, 69x81 Description
Solacauline Formula: C43H69NO14 (823.4718) Adducts: [M+NH4]+ (Ppm: 0.8)	Homo sapiens (esophagus)	LNTO22_1_9 Resolution: 75μm, 89x74 Description
PG(20:4(5Z,8Z,11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C48H75O11P (858.5047) Adducts: [M+H-H2O]+ (Ppm: 1.4)	Homo sapiens (esophagus)	LNTO30_8M_1 Resolution: 17μm, 69x54 Description
PG(18:2(9Z,11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) Formula: C44H73O13P (840.4789) Adducts: [M+H]+ (Ppm: 11.3)	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).
PG(18:2(9Z,11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) Formula: C44H73O13P (840.4789) Adducts: [M+H]+ (Ppm: 10.5)	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).
PG(18:2(9Z,11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) Formula: C44H73O13P (840.4789) Adducts: [M+H]+ (Ppm: 13.2)	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).
PG(18:2(9Z,11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) Formula: C44H73O13P (840.4789) Adducts: [M+H]+ (Ppm: 8.3)	Homo sapiens (NA)	160TopL,130TopR,150BottomL,140BottomR-profile Resolution: 17μm, 142x136 Description
Solacauline Formula: C43H69NO14 (823.4718) Adducts: [M+NH4]+ (Ppm: 1.6)	Homo sapiens (esophagus)	TO29T Resolution: 75μm, 56x48 Description
PG(20:4(5Z,8Z,11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C48H75O11P (858.5047) Adducts: [M+H-H2O]+ (Ppm: 1.6)	Homo sapiens (esophagus)	TO41T Resolution: 75μm, 69x43 Description
PG(20:4(5Z,8Z,11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C48H75O11P (858.5047) Adducts: [M+H-H2O]+ (Ppm: 2)	Homo sapiens (esophagus)	LNTO30_17_2 Resolution: 75μm, 82x54 Description
Sulfoquinovosyl diglyceride Formula: C45H76O12S (840.5057) Adducts: [M+H]+ (Ppm: 10.1)	Homo sapiens (esophagus)	LNTO22_2_2 Resolution: 75μm, 135x94 Description
PG(20:4(5Z,8Z,11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C48H75O11P (858.5047) Adducts: [M+H-H2O]+ (Ppm: 1.3)	Homo sapiens (esophagus)	LNTO29_18_2 Resolution: 75μm, 62x68 Description
Sulfoquinovosyl diglyceride Formula: C45H76O12S (840.5057) Adducts: [M+H]+ (Ppm: 12.2)	Homo sapiens (colorectal adenocarcinoma)	240TopL, 210TopR, 230BottomL, 220BottomR-centroid Resolution: 50μm, 142x141 Description
PG(20:4(5Z,8Z,11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C48H75O11P (858.5047) Adducts: [M+H-H2O]+ (Ppm: 1.1)	Homo sapiens (colorectal adenocarcinoma)	160TopL,130TopR,150BottomL,140BottomR-centroid Resolution: 50μm, 142x136 Description