M/Z: 438.3089
Hit 3 annotations: 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea_[M-H2O+NH4]+; Anordrin_[M-H2O+NH4]+; LysoPE(P-16:0/0:0)_[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 5 Reference Ions Near m/z 438.3089
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000056657 Reliable | 438.3096 | 438.3093 ~ 438.3098 MzDiff: 1.9 ppm |
1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea (BioDeep_00000178592) Formula: C27H38N2O3 (438.2882) |
7.9 (100%) | DESI [NOVOCELL:BACKGROUND] blank |
| MSI_000065340 Reliable | 438.3094 | 438.3092 ~ 438.3096 MzDiff: 1.9 ppm |
1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea (BioDeep_00000178592) Formula: C27H38N2O3 (438.2882) |
3.63 (100%) | Homo sapiens [UBERON:0001155] colon |
| MSI_000008155 Reliable | 438.3086 | 438.3084 ~ 438.309 MzDiff: 2.6 ppm |
1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea (BioDeep_00000178592) Formula: C27H38N2O3 (438.2882) |
12.46 (100%) | Rattus norvegicus [UBERON:0004360] cauda epididymis |
| MSI_000057928 Reliable | 438.3094 | 438.3092 ~ 438.3096 MzDiff: 1.7 ppm |
1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea (BioDeep_00000178592) Formula: C27H38N2O3 (438.2882) |
3.14 (100%) | Homo sapiens [UBERON:0007779] transudate |
| MSI_000057249 Unreliable | 438.3074 | 438.3074 ~ 438.3074 MzDiff: none |
Anordrin (BioDeep_00000176088) Formula: C28H38O4 (438.277) |
1.25 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 34 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 5.7) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito08_43Resolution: 17μm, 298x106
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 6.6) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito08_44Resolution: 17μm, 299x111
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 7) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito08_46Resolution: 17μm, 298x106
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 6.8) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito08_47Resolution: 17μm, 301x111
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 6.8) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito08_48Resolution: 17μm, 294x107
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 5.4) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito01_04Resolution: 17μm, 178x91
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 5.2) |
Rattus norvegicus (normal) |
epik_dhb_head_ito01_05Resolution: 17μm, 183x105
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 5.4) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito01_06Resolution: 17μm, 183x103
|
|
| Anordrin Formula: C28H38O4 (438.277) Adducts: [M-H2O+NH4]+ (Ppm: 16.3) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 4.3) |
Homo sapiens (esophagus) |
LNTO29_16_2Resolution: 17μm, 95x101
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 5.7) |
Homo sapiens (esophagus) |
TO42TResolution: 17μm, 69x81
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 4.5) |
Homo sapiens (esophagus) |
LNTO30_8M_1Resolution: 17μm, 69x54
|
|
| Anordrin Formula: C28H38O4 (438.277) Adducts: [M-H2O+NH4]+ (Ppm: 19.7) |
Homo sapiens (esophagus) |
TO39TResolution: 17μm, 69x81
|
|
| LysoPE(P-16:0/0:0) Formula: C21H44NO6P (437.2906) Adducts: [M+H]+ (Ppm: 9.4) |
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). |
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 1.3) |
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). |
|
| LysoPE(P-16:0/0:0) Formula: C21H44NO6P (437.2906) Adducts: [M+H]+ (Ppm: 8) |
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). |
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 2) |
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). |
|
| Anordrin Formula: C28H38O4 (438.277) Adducts: [M-H2O+NH4]+ (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). |
|
| Anordrin Formula: C28H38O4 (438.277) Adducts: [M-H2O+NH4]+ (Ppm: 16.3) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 4.8) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
| Anordrin Formula: C28H38O4 (438.277) Adducts: [M-H2O+NH4]+ (Ppm: 19) |
Homo sapiens (esophagus) |
TO40TResolution: 17μm, 82x74
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 4.5) |
Homo sapiens (esophagus) |
TO41TResolution: 75μm, 69x43
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 4.3) |
Homo sapiens (esophagus) |
LNTO30_8M_2Resolution: 75μm, 108x68
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 4.8) |
Homo sapiens (esophagus) |
LNTO30_8M_3Resolution: 75μm, 69x54
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 3.9) |
Homo sapiens (esophagus) |
LNTO30_8M_4Resolution: 75μm, 62x48
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 4.1) |
Homo sapiens (esophagus) |
LNTO30_8M_5Resolution: 75μm, 56x54
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 4.3) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 5) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 4.3) |
Homo sapiens (esophagus) |
LNTO30_7_1Resolution: 75μm, 69x68
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 4.5) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 5.2) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 4.3) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 5.2) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M-H2O+NH4]+ (Ppm: 4.8) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
|
