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 5 Reference Ions Near m/z 441.2511
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000052664 Reliable 441.2528 441.2524 ~ 441.253
MzDiff: 2.2 ppm
[6]-Gingerdiol 5-O-beta-D-glucopyranoside (BioDeep_00000022410)
Formula: C23H38O9 (458.2516)
13.13 (67%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000056699 Reliable 441.2417 441.2411 ~ 441.2419
MzDiff: 3.7 ppm
Tirofiban (BioDeep_00000006640)
Formula: C22H36N2O5S (440.2345)
8.51 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000053226 Unreliable 441.261 441.261 ~ 441.261
MzDiff: none
Motolimod (BioDeep_00000181105)
Formula: C28H34N4O2 (458.2682)
2.81 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000053371 Unreliable 441.2451 441.2451 ~ 441.2451
MzDiff: none
Tirofiban (BioDeep_00000006640)
Formula: C22H36N2O5S (440.2345)
2.62 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000055828 Unavailable 441.2545 441.2545 ~ 441.2545
MzDiff: none
Cerivastatin lactone (BioDeep_00000177167)
Formula: C26H32FNO4 (441.2315)
-0.03 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 31 Sample Hits
Metabolite Species Sample
Motolimod

Formula: C28H34N4O2 (458.2682)
Adducts: [M+H-H2O]+ (Ppm: 10.8)
Mus musculus (Lung)
image3
Resolution: 40μm, 146x190

Description

Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). Ion images of (A) m/z 796.6856 ([U13C-DPPC+Na]+), (B) m/z 756.5154 [PC32:0+Na]+), and (C) m/z 765.6079 ([D9-PC32:0+Na]+). D: Overlay image of [U13C-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

Cerivastatin lactone

Formula: C26H32FNO4 (441.2315)
Adducts: [M-H2O+NH4]+ (Ppm: 2.9)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

Astemizole

Formula: C28H31FN4O (458.2482)
Adducts: [M+H-H2O]+ (Ppm: 14.1)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

Astemizole

Formula: C28H31FN4O (458.2482)
Adducts: [M+H-H2O]+ (Ppm: 18.6)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

[6]-Gingerdiol 5-O-beta-D-glucopyranoside

Formula: C23H38O9 (458.2516)
Adducts: [M+H-H2O]+ (Ppm: 9.6)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

Astemizole

Formula: C28H31FN4O (458.2482)
Adducts: [M+H-H2O]+ (Ppm: 18.6)
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).

Astemizole

Formula: C28H31FN4O (458.2482)
Adducts: [M+H-H2O]+ (Ppm: 15)
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).

Astemizole

Formula: C28H31FN4O (458.2482)
Adducts: [M+H-H2O]+ (Ppm: 17.5)
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).

3-N-(2-Fluoroethyl)spiperone

Formula: C25H29F2N3O2 (441.2228)
Adducts: [M-H2O+NH4]+ (Ppm: 18.3)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

Astemizole

Formula: C28H31FN4O (458.2482)
Adducts: [M+H-H2O]+ (Ppm: 18.2)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

Cerivastatin lactone

Formula: C26H32FNO4 (441.2315)
Adducts: [M-H2O+NH4]+ (Ppm: 3.1)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

Cerivastatin lactone

Formula: C26H32FNO4 (441.2315)
Adducts: [M-H2O+NH4]+ (Ppm: 0.6)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

Cerivastatin lactone

Formula: C26H32FNO4 (441.2315)
Adducts: [M-H2O+NH4]+ (Ppm: 3.1)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

[6]-Gingerdiol 5-O-beta-D-glucopyranoside

Formula: C23H38O9 (458.2516)
Adducts: [M+H-H2O]+ (Ppm: 8)
Homo sapiens (esophagus)
TO40T
Resolution: 17μm, 82x74

Description

[6]-Gingerdiol 5-O-beta-D-glucopyranoside

Formula: C23H38O9 (458.2516)
Adducts: [M+H-H2O]+ (Ppm: 10.2)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

[6]-Gingerdiol 5-O-beta-D-glucopyranoside

Formula: C23H38O9 (458.2516)
Adducts: [M+H-H2O]+ (Ppm: 10.7)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

[6]-Gingerdiol 5-O-beta-D-glucopyranoside

Formula: C23H38O9 (458.2516)
Adducts: [M+H-H2O]+ (Ppm: 10.7)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

Cerivastatin lactone

Formula: C26H32FNO4 (441.2315)
Adducts: [M-H2O+NH4]+ (Ppm: 3.1)
Homo sapiens (esophagus)
LNTO30_8M_4
Resolution: 75μm, 62x48

Description

Astemizole

Formula: C28H31FN4O (458.2482)
Adducts: [M+H-H2O]+ (Ppm: 18.8)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

[6]-Gingerdiol 5-O-beta-D-glucopyranoside

Formula: C23H38O9 (458.2516)
Adducts: [M+H-H2O]+ (Ppm: 10.7)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

3-N-(2-Fluoroethyl)spiperone

Formula: C25H29F2N3O2 (441.2228)
Adducts: [M-H2O+NH4]+ (Ppm: 17.6)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

[6]-Gingerdiol 5-O-beta-D-glucopyranoside

Formula: C23H38O9 (458.2516)
Adducts: [M+H-H2O]+ (Ppm: 11.4)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

Cerivastatin lactone

Formula: C26H32FNO4 (441.2315)
Adducts: [M-H2O+NH4]+ (Ppm: 2.9)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

Cerivastatin lactone

Formula: C26H32FNO4 (441.2315)
Adducts: [M-H2O+NH4]+ (Ppm: 2.9)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

Astemizole

Formula: C28H31FN4O (458.2482)
Adducts: [M+H-H2O]+ (Ppm: 17.9)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

Cerivastatin lactone

Formula: C26H32FNO4 (441.2315)
Adducts: [M-H2O+NH4]+ (Ppm: 3.4)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

Astemizole

Formula: C28H31FN4O (458.2482)
Adducts: [M+H-H2O]+ (Ppm: 18.2)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

[6]-Gingerdiol 5-O-beta-D-glucopyranoside

Formula: C23H38O9 (458.2516)
Adducts: [M+H-H2O]+ (Ppm: 9.6)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

[6]-Gingerdiol 5-O-beta-D-glucopyranoside

Formula: C23H38O9 (458.2516)
Adducts: [M+H-H2O]+ (Ppm: 10.5)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

[6]-Gingerdiol 5-O-beta-D-glucopyranoside

Formula: C23H38O9 (458.2516)
Adducts: [M+H-H2O]+ (Ppm: 9.3)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

[6]-Gingerdiol 5-O-beta-D-glucopyranoside

Formula: C23H38O9 (458.2516)
Adducts: [M+H-H2O]+ (Ppm: 10.2)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description