M/Z: 865.4958
Hit 7 annotations: Spiramycin_[M+Na]+; Elatoside E_[M+H-H2O]+; PG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))_[M+H-2H2O]+; PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))_[M+H-H2O]+; PG(20:4(5Z,8Z,11Z,14Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))_[M+H]+; PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))_[M+H-2H2O]+; PI(16:2(9Z,12Z)/18:1(12Z)-2OH(9,10))_[M+H]+
- 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 865.4958
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000043873 Reliable | 865.5044 | 865.5042 ~ 865.5047 MzDiff: 2.2 ppm |
PI(16:2(9Z,12Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000201286) Formula: C43H77O15P (864.5) |
9.45 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000015663 Reliable | 865.4993 | 865.4991 ~ 865.4994 MzDiff: 1.5 ppm |
Spiramycin (BioDeep_00000397813) Formula: C43H74N2O14 (842.514) |
3.73 (71%) | Vitis vinifera [PO:0009085] exocarp |
| MSI_000043898 Reliable | 865.5026 | 865.502 ~ 865.5029 MzDiff: 3.5 ppm |
PI(16:2(9Z,12Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000201286) Formula: C43H77O15P (864.5) |
7.1 (71%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000047357 Unreliable | 865.4958 | 865.4958 ~ 865.4958 MzDiff: none |
PG(20:4(5Z,8Z,11Z,14Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000194972) Formula: C46H73O13P (864.4789) |
2.35 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
| MSI_000047529 Unreliable | 865.5044 | 865.5044 ~ 865.5044 MzDiff: none |
PI(16:2(9Z,12Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000201286) Formula: C43H77O15P (864.5) |
2.25 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
| MSI_000052252 Unreliable | 865.4935 | 865.4935 ~ 865.4935 MzDiff: none |
PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) (BioDeep_00000108863) Formula: C46H78O13P2 (900.4917) |
2.24 (100%) | Homo sapiens [UBERON:0001052] rectum |
| MSI_000052307 Unreliable | 865.5017 | 865.5017 ~ 865.5017 MzDiff: none |
PI(16:2(9Z,12Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000201286) Formula: C43H77O15P (864.5) |
2.21 (100%) | Homo sapiens [UBERON:0001052] rectum |
| MSI_000065449 Unreliable | 865.5025 | 865.5024 ~ 865.5028 MzDiff: 1.7 ppm |
PI(16:2(9Z,12Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000201286) Formula: C43H77O15P (864.5) |
2.72 (100%) | Homo sapiens [UBERON:0001155] colon |
| MSI_000016668 Unreliable | 865.4992 | 865.4991 ~ 865.4994 MzDiff: 1.5 ppm |
Spiramycin (BioDeep_00000397813) Formula: C43H74N2O14 (842.514) |
0.29 (50%) | Vitis vinifera [PO:0009086] endocarp |
| MSI_000056704 Unreliable | 865.5004 | 865.5003 ~ 865.5004 MzDiff: 0.7 ppm |
PG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000195282) Formula: C50H77O12P (900.5152) |
2.94 (100%) | Homo sapiens [UBERON:0001043] esophagus |
Found 9 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| Spiramycin Formula: C43H74N2O14 (842.514) Adducts: [M+Na]+ (Ppm: 4.4) |
Vitis vinifera (Fruit) |
grape_dhb_91_1Resolution: 50μm, 120x114
Grape berries fruit, condition: Ripe |
|
| Elatoside E Formula: C46H74O16 (882.4977) Adducts: [M+H-H2O]+ (Ppm: 5.5) |
Vitis vinifera (Fruit) |
grape_dhb_164_1Resolution: 17μm, 136x122
Grape berries fruit, condition: Late |
|
| PG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) Formula: C50H77O12P (900.5152) Adducts: [M+H-2H2O]+ (Ppm: 1.3) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
|
|
| PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C50H75O11P (882.5047) Adducts: [M+H-H2O]+ (Ppm: 0.7) |
Homo sapiens (esophagus) |
TO42TResolution: 17μm, 69x81
|
|
| PG(20:4(5Z,8Z,11Z,14Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) Formula: C46H73O13P (864.4789) Adducts: [M+H]+ (Ppm: 11.2) |
Homo sapiens (colorectal adenocarcinoma) |
80TopL, 50TopR, 70BottomL, 60BottomR-profileResolution: 17μm, 137x136
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(20:4(5Z,8Z,11Z,14Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) Formula: C46H73O13P (864.4789) Adducts: [M+H]+ (Ppm: 15.3) |
Homo sapiens (colorectal adenocarcinoma) |
520TopL, 490TopR, 510BottomL, 500BottomR-profileResolution: 17μm, 147x131
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). |
|
| PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) Formula: C46H78O13P2 (900.4917) Adducts: [M+H-2H2O]+ (Ppm: 18) |
Homo sapiens (colorectal adenocarcinoma) |
439TopL, 409TopR, 429BottomL, 419BottomR-profileResolution: 17μm, 157x136
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). |
|
| Elatoside E Formula: C46H74O16 (882.4977) Adducts: [M+H-H2O]+ (Ppm: 3.7) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
| PI(16:2(9Z,12Z)/18:1(12Z)-2OH(9,10)) Formula: C43H77O15P (864.5) Adducts: [M+H]+ (Ppm: 5) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
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