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 7 Reference Ions Near m/z 544.3476
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006762 Reliable 544.3386 544.3385 ~ 544.3389
MzDiff: 1.7 ppm
LysoPC(0:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000054818)
Formula: C28H50NO7P (543.3325)
9.94 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000006581 Reliable 544.3484 544.3481 ~ 544.3486
MzDiff: 2.1 ppm
Brincidofovir (BioDeep_00000176825)
Formula: C27H52N3O7P (561.3543)
6.01 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000021019 Reliable 544.3477 544.3475 ~ 544.3479
MzDiff: 1.7 ppm
Brincidofovir (BioDeep_00000176825)
Formula: C27H52N3O7P (561.3543)
6.5 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000010182 Unavailable 544.3378 544.3378 ~ 544.3378
MzDiff: 0.2 ppm
LysoPC(0:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000054818)
Formula: C28H50NO7P (543.3325)
-0.49 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000011903 Unavailable 544.3378 544.3378 ~ 544.3378
MzDiff: none
LysoPC(0:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000054818)
Formula: C28H50NO7P (543.3325)
-0.29 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000025020 Unreliable 544.3386 544.3386 ~ 544.3386
MzDiff: none
LysoPC(0:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000054818)
Formula: C28H50NO7P (543.3325)
1.74 (100%) Mus musculus
[UBERON:0004269] upper arm connective tissue
MSI_000044192 Unreliable 544.3388 544.3388 ~ 544.3388
MzDiff: none
LysoPC(0:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000054818)
Formula: C28H50NO7P (543.3325)
0.73 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb

Found 14 Sample Hits
Metabolite Species Sample
Brincidofovir

Formula: C27H52N3O7P (561.3543)
Adducts: [M+H-H2O]+ (Ppm: 6.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_17
Resolution: 17μm, 208x108

Description

1 male adult wild-type rat was obtained from Inserm U1085 - Irset Research Institute (University of Rennes1, France). Animals were age 60 days and were reared under ad-lib conditions. Care and handling of all animals complied with EU directive 2010/63/EU on the protection of animals used for scientific purposes. The whole epididymis was excised from each animal immediately post-mortem, loosely wrapped rapidly in an aluminum foil and a 2.5% (w/v) carboxymethylcellulose (CMC) solution was poured to embed the epididymis to preserve their morphology. To remove air bubbles, the filled aluminum molds was gently freezed by depositing it on isopentane or dry ice, then on the nitrogen vapors and finally by progressively dipping the CMC/sample coated with aluminum foil into liquid nitrogen (or only flush with liquid nitrogen). Frozen tissues were stored at -80 °C until use to avoid degradation.

Brincidofovir

Formula: C27H52N3O7P (561.3543)
Adducts: [M+H-H2O]+ (Ppm: 5.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

Brincidofovir

Formula: C27H52N3O7P (561.3543)
Adducts: [M+H-H2O]+ (Ppm: 4.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

Brincidofovir

Formula: C27H52N3O7P (561.3543)
Adducts: [M+H-H2O]+ (Ppm: 4.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

Brincidofovir

Formula: C27H52N3O7P (561.3543)
Adducts: [M+H-H2O]+ (Ppm: 5.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

Brincidofovir

Formula: C27H52N3O7P (561.3543)
Adducts: [M+H-H2O]+ (Ppm: 6.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

Brincidofovir

Formula: C27H52N3O7P (561.3543)
Adducts: [M+H-H2O]+ (Ppm: 6.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

Brincidofovir

Formula: C27H52N3O7P (561.3543)
Adducts: [M+H-H2O]+ (Ppm: 6.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

Brincidofovir

Formula: C27H52N3O7P (561.3543)
Adducts: [M+H-H2O]+ (Ppm: 5.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

5-Azanonane deriv.

Formula: C29H49N5O7 (579.3632)
Adducts: [M+H-2H2O]+ (Ppm: 1.9)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

Brincidofovir

Formula: C27H52N3O7P (561.3543)
Adducts: [M+H-H2O]+ (Ppm: 5.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

Brincidofovir

Formula: C27H52N3O7P (561.3543)
Adducts: [M+H-H2O]+ (Ppm: 4.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

5-Azanonane deriv.

Formula: C29H49N5O7 (579.3632)
Adducts: [M+H-2H2O]+ (Ppm: 17.1)
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.

LysoPC(0:0/20:4(5Z,8Z,11Z,14Z))

Formula: C28H50NO7P (543.3325)
Adducts: [M+H]+ (Ppm: 4.5)
Mus musculus (Lung)
image2
Resolution: 40μm, 550x256

Description

Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).