M/Z: 655.4169
Hit 4 annotations: Avenestergenin A1_[M+NH4]+; [(2R,5S)-2,5-Dimethyl-5-(octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 2-quinolin-1-ium-1-ylethyl phosphate_[M+H-2H2O]+; (17E,19E,21E,23E,25E)-4,6,8,10,12,14,16,27-Octahydroxy-3-(1-hydroxyhexyl)-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one_[M+H]+; PA(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_[M+H-2H2O]+
- 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 3 Reference Ions Near m/z 655.4169
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000052885 Reliable | 655.4217 | 655.4212 ~ 655.422 MzDiff: 3.4 ppm |
Avenestergenin A1 (BioDeep_00000025435) Formula: C38H55NO7 (637.3978) |
6.37 (70%) | DESI [NOVOCELL:BACKGROUND] blank |
| MSI_000065400 Reliable | 655.4217 | 655.4213 ~ 655.422 MzDiff: 2.9 ppm |
Avenestergenin A1 (BioDeep_00000025435) Formula: C38H55NO7 (637.3978) |
3.42 (71%) | Homo sapiens [UBERON:0001155] colon |
| MSI_000055856 Unavailable | 655.4236 | 655.4236 ~ 655.4236 MzDiff: none |
Avenestergenin A1 (BioDeep_00000025435) Formula: C38H55NO7 (637.3978) |
-0.17 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 11 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| Avenestergenin A1 Formula: C38H55NO7 (637.3978) Adducts: [M+NH4]+ (Ppm: 18.5) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
|
|
| [(2R,5S)-2,5-Dimethyl-5-(octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 2-quinolin-1-ium-1-ylethyl phosphate Formula: C38H63N2O7P (690.4373) Adducts: [M+H-2H2O]+ (Ppm: 3.4) |
Homo sapiens (esophagus) |
TO39TResolution: 17μm, 69x81
|
|
| (17E,19E,21E,23E,25E)-4,6,8,10,12,14,16,27-Octahydroxy-3-(1-hydroxyhexyl)-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one Formula: C35H58O11 (654.3979) Adducts: [M+H]+ (Ppm: 13.8) |
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). |
|
| PA(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C39H63O8P (690.426) Adducts: [M+H-2H2O]+ (Ppm: 11.9) |
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). |
|
| (17E,19E,21E,23E,25E)-4,6,8,10,12,14,16,27-Octahydroxy-3-(1-hydroxyhexyl)-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one Formula: C35H58O11 (654.3979) Adducts: [M+H]+ (Ppm: 17.9) |
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). |
|
| (17E,19E,21E,23E,25E)-4,6,8,10,12,14,16,27-Octahydroxy-3-(1-hydroxyhexyl)-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one Formula: C35H58O11 (654.3979) Adducts: [M+H]+ (Ppm: 16.5) |
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). |
|
| (17E,19E,21E,23E,25E)-4,6,8,10,12,14,16,27-Octahydroxy-3-(1-hydroxyhexyl)-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one Formula: C35H58O11 (654.3979) Adducts: [M+H]+ (Ppm: 19.9) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
| [(2R,5S)-2,5-Dimethyl-5-(octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 2-quinolin-1-ium-1-ylethyl phosphate Formula: C38H63N2O7P (690.4373) Adducts: [M+H-2H2O]+ (Ppm: 0.8) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
|
| [(2R,5S)-2,5-Dimethyl-5-(octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 2-quinolin-1-ium-1-ylethyl phosphate Formula: C38H63N2O7P (690.4373) Adducts: [M+H-2H2O]+ (Ppm: 4.9) |
Homo sapiens (esophagus) |
TO40TResolution: 17μm, 82x74
|
|
| Avenestergenin A1 Formula: C38H55NO7 (637.3978) Adducts: [M+NH4]+ (Ppm: 15) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
|
| Avenestergenin A1 Formula: C38H55NO7 (637.3978) Adducts: [M+NH4]+ (Ppm: 15.5) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
|
