M/Z: 802.5759

Hit 5 annotations: 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate_[M+Na]+; PS(22:2(13Z,16Z)/15:0)_[M+H]+; PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_[M+H-H2O]+; SM(d18:0/PGF2alpha)_[M]+; PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_[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 802.5759

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000047368 Unreliable	802.5808	802.5808 ~ 802.5808 MzDiff: `none`	PC(18:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000211259) Formula: C44H84NO9P (801.5883)	2.34 (100%)	Homo sapiens [UBERON:0013067] colorectal mucosa
MSI_000047466 Unreliable	802.5731	802.5731 ~ 802.5731 MzDiff: `none`	3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844) Formula: C53H79O4 (779.5978)	2.28 (100%)	Homo sapiens [UBERON:0013067] colorectal mucosa
MSI_000052513 Unreliable	802.5694	802.5694 ~ 802.5694 MzDiff: `none`	PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000169967) Formula: C47H82NO8P (819.5778)	1.86 (100%)	Homo sapiens [UBERON:0001052] rectum
MSI_000052579 Unreliable	802.5771	802.5771 ~ 802.5771 MzDiff: `none`	3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844) Formula: C53H79O4 (779.5978)	1.54 (100%)	Homo sapiens [UBERON:0001052] rectum
MSI_000065425 Unreliable	802.5754	802.5754 ~ 802.5756 MzDiff: `1.2 ppm`	PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107649) Formula: C47H79O8P (802.5512)	3.34 (33%)	Homo sapiens [UBERON:0001155] colon
MSI_000065718 Unreliable	802.5732	802.5732 ~ 802.5732 MzDiff: `none`	PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107649) Formula: C47H79O8P (802.5512)	1.69 (100%)	Homo sapiens [UBERON:0001155] colon
MSI_000028235 Unreliable	802.5746	802.5746 ~ 802.5746 MzDiff: `none`	3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844) Formula: C53H79O4 (779.5978)	1.63 (100%)	Macropus giganteus [UBERON:0001891] midbrain
MSI_000028677 Unreliable	802.5807	802.5807 ~ 802.5807 MzDiff: `none`	PC(18:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000211259) Formula: C44H84NO9P (801.5883)	0.62 (100%)	Macropus giganteus [UBERON:0001891] midbrain
MSI_000030102 Unreliable	802.568	802.568 ~ 802.568 MzDiff: `none`	PS(22:2(13Z,16Z)/15:0) (BioDeep_00000105119) Formula: C43H80NO10P (801.552)	2.3 (100%)	Macropus giganteus [UBERON:0003027] cingulate cortex
MSI_000030742 Unreliable	802.5807	802.5807 ~ 802.5807 MzDiff: `none`	PC(18:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000211259) Formula: C44H84NO9P (801.5883)	1.1 (100%)	Macropus giganteus [UBERON:0003027] cingulate cortex
MSI_000061522 Unavailable	802.5727	802.5727 ~ 802.5727 MzDiff: `none`	3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844) Formula: C53H79O4 (779.5978)	-0.34 (100%)	Mus musculus [UBERON:0000956] cerebral cortex
MSI_000062490 Unavailable	802.5727	802.5727 ~ 802.5727 MzDiff: `none`	3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844) Formula: C53H79O4 (779.5978)	-0.38 (100%)	Mus musculus [UBERON:0001950] neocortex
MSI_000062889 Unavailable	802.5727	802.5727 ~ 802.5727 MzDiff: `none`	3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844) Formula: C53H79O4 (779.5978)	-0.4 (100%)	Mus musculus [UBERON:0002421] hippocampal formation

Found 18 Sample Hits

Metabolite	Species	Sample
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate Formula: C53H79O4 (779.5978) Adducts: [M+Na]+ (Ppm: 15.5)	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
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate Formula: C53H79O4 (779.5978) Adducts: [M+Na]+ (Ppm: 10.6)	Homo sapiens (esophagus)	LNTO22_1_3 Resolution: 75μm, 121x68 Description
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate Formula: C53H79O4 (779.5978) Adducts: [M+Na]+ (Ppm: 12)	Homo sapiens (esophagus)	LNTO22_1_9 Resolution: 75μm, 89x74 Description
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate Formula: C53H79O4 (779.5978) Adducts: [M+Na]+ (Ppm: 17.3)	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).
PS(22:2(13Z,16Z)/15:0) Formula: C43H80NO10P (801.552) Adducts: [M+H]+ (Ppm: 17.5)	Mytilus edulis (mantle)	20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 Resolution: 10μm, 270x210 Description
PS(22:2(13Z,16Z)/15:0) Formula: C43H80NO10P (801.552) Adducts: [M+H]+ (Ppm: 16)	Mytilus edulis (mantle)	20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 Resolution: 10μm, 275x210 Description
PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H82NO8P (819.5778) Adducts: [M+H-H2O]+ (Ppm: 0.6)	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).
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate Formula: C53H79O4 (779.5978) Adducts: [M+Na]+ (Ppm: 12.4)	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(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H82NO8P (819.5778) Adducts: [M+H-H2O]+ (Ppm: 6.6)	Homo sapiens (NA)	160TopL,130TopR,150BottomL,140BottomR-profile Resolution: 17μm, 142x136 Description
PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H82NO8P (819.5778) Adducts: [M+H-H2O]+ (Ppm: 2.3)	Homo sapiens (esophagus)	TO29T Resolution: 75μm, 56x48 Description
PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H82NO8P (819.5778) Adducts: [M+H-H2O]+ (Ppm: 1.9)	Homo sapiens (esophagus)	TO41T Resolution: 75μm, 69x43 Description
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate Formula: C53H79O4 (779.5978) Adducts: [M+Na]+ (Ppm: 14.5)	Homo sapiens (esophagus)	LNTO22_1_7 Resolution: 75μm, 69x54 Description
SM(d18:0/PGF2alpha) Formula: C43H83N2O9P (802.5836) Adducts: [M]+ (Ppm: 16.1)	Homo sapiens (esophagus)	LNTO22_2_2 Resolution: 75μm, 135x94 Description
PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H82NO8P (819.5778) Adducts: [M+H-H2O]+ (Ppm: 1.8)	Homo sapiens (esophagus)	LNTO29_18_2 Resolution: 75μm, 62x68 Description
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H79O8P (802.5512) Adducts: [M-H2O+NH4]+ (Ppm: 1.4)	Homo sapiens (colorectal adenocarcinoma)	240TopL, 210TopR, 230BottomL, 220BottomR-centroid Resolution: 50μm, 142x141 Description
m/z_802.5754 Formula: - (n/a) Adducts: (Ppm: 0)	Homo sapiens (colorectal adenocarcinoma)	200TopL, 170TopR, 190BottomL, 180BottomR-centroid Resolution: 50μm, 132x126 Description
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H79O8P (802.5512) Adducts: [M-H2O+NH4]+ (Ppm: 1.6)	Homo sapiens (colorectal adenocarcinoma)	160TopL,130TopR,150BottomL,140BottomR-centroid Resolution: 50μm, 142x136 Description
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H79O8P (802.5512) Adducts: [M-H2O+NH4]+ (Ppm: 2.1)	Homo sapiens (colorectal adenocarcinoma)	120TopL, 90TopR, 110BottomL, 100BottomR-centroid Resolution: 50μm, 132x136 Description