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 16 Reference Ions Near m/z 444.0987
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000054140 Reliable 444.0924 444.092 ~ 444.0929
MzDiff: 3.7 ppm
(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one (BioDeep_00002188344)
Formula: C21H14O10 (426.0587)
3.36 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000011083 Unreliable 444.0917 444.0917 ~ 444.0917
MzDiff: none
SM-17466 (BioDeep_00000009039)
Formula: C20H21N4O5S2+ (461.0953)
2.26 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011207 Unreliable 444.1053 444.1053 ~ 444.1053
MzDiff: none
N-debutylhalofantrine (BioDeep_00000054436)
Formula: C22H22Cl2F3NO (443.103)
1.78 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011234 Unreliable 444.0987 444.0987 ~ 444.0987
MzDiff: none
LY2874455 (BioDeep_00000016526)
Formula: C21H19Cl2N5O2 (443.0916)
1.71 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000009357 Unavailable 444.0917 444.0917 ~ 444.0917
MzDiff: none
SM-17466 (BioDeep_00000009039)
Formula: C20H21N4O5S2+ (461.0953)
-0.16 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009367 Unavailable 444.1053 444.1053 ~ 444.1053
MzDiff: none
N-debutylhalofantrine (BioDeep_00000054436)
Formula: C22H22Cl2F3NO (443.103)
-0.19 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009383 Unavailable 444.0987 444.0987 ~ 444.0987
MzDiff: none
LY2874455 (BioDeep_00000016526)
Formula: C21H19Cl2N5O2 (443.0916)
-0.25 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000012615 Unavailable 444.0925 444.0925 ~ 444.0925
MzDiff: none
Selinexor (BioDeep_00000183766)
Formula: C17H11F6N7O (443.0929)
-0.13 (100%) Plant
[PO:0005020] vascular bundle
MSI_000014081 Unavailable 444.0925 444.0925 ~ 444.0925
MzDiff: none
Selinexor (BioDeep_00000183766)
Formula: C17H11F6N7O (443.0929)
-0.3 (100%) Plant
[PO:0005417] phloem
MSI_000015273 Unavailable 444.0925 444.0925 ~ 444.0925
MzDiff: none
Selinexor (BioDeep_00000183766)
Formula: C17H11F6N7O (443.0929)
-0.66 (100%) Plant
[PO:0006036] root epidermis
MSI_000018523 Unreliable 444.0925 444.0925 ~ 444.0925
MzDiff: none
Selinexor (BioDeep_00000183766)
Formula: C17H11F6N7O (443.0929)
1.74 (100%) Plant
[PO:0020124] root stele
MSI_000033467 Unreliable 444.092 444.092 ~ 444.092
MzDiff: none
(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one (BioDeep_00002188344)
Formula: C21H14O10 (426.0587)
1.98 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000035069 Unreliable 444.0989 444.0989 ~ 444.0989
MzDiff: none
Trifluoperazine 2HCl (BioDeep_00000399148)
Formula: C21H26Cl2F3N3S (479.1176)
2.34 (100%) Posidonia oceanica
[PO:0006203] pericycle
MSI_000035645 Unavailable 444.092 444.092 ~ 444.092
MzDiff: none
(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one (BioDeep_00002188344)
Formula: C21H14O10 (426.0587)
-0.23 (100%) Posidonia oceanica
[PO:0006203] pericycle
MSI_000037176 Unreliable 444.0926 444.0926 ~ 444.0926
MzDiff: none
(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one (BioDeep_00002188344)
Formula: C21H14O10 (426.0587)
2.03 (100%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000040042 Unreliable 444.0926 444.0926 ~ 444.0926
MzDiff: none
(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one (BioDeep_00002188344)
Formula: C21H14O10 (426.0587)
0.15 (100%) Posidonia oceanica
[PO:0005417] phloem

Found 6 Sample Hits
Metabolite Species Sample
LY2874455

Formula: C21H19Cl2N5O2 (443.0916)
Adducts: [M+H]+ (Ppm: 0.3)
Mus musculus (Urinary bladder)
HR2MSI_mouse_urinary_bladder - S096
Resolution: 10μm, 260x134

Description

Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset)
The spatial distribution of phospholipids in a tissue section of mouse urinary bladder was analyzed by MALDI MS imaging at 10 micrometer pixel size with high mass resolution (using an LTQ Orbitrap mass spectrometer).

R, ö, mpp A, Guenther S, Schober Y, Schulz O, Takats Z, Kummer W, Spengler B, Histology by mass spectrometry: label-free tissue characterization obtained from high-accuracy bioanalytical imaging. Angew Chem Int Ed Engl, 49(22):3834-8(2010)

Fig. S2: Single ion images of compounds shown in Fig. 1A-B : (upper left to lower right) m/z = 743.5482 (unknown), m/z = 741.5307 (SM (16:0), [M+K]+), m/z = 798.5410 (PC (34:1), [M+K]+), m/z = 616.1767 (heme b, M+), m/z = 772.5253 (PC (32:0), [M+K]+).

Stability of determined mass values was in the range of +/- 1 ppm over 22 hours of measurement (Fig. S4), with a standard deviation of 0.56 ppm. Accuracy data were obtained during tissue scanning experiments by monitoring the mass signal at nominal mass 798. The internal lock mass function of the Orbitrap instrument was used for automatic calibration during imaging measurements, using the known matrix-related ion signals at m/z = 137.0233, m/z = 444.0925 and m/z = 716.1246.

Selinexor

Formula: C17H11F6N7O (443.0929)
Adducts: [M+H]+ (Ppm: 17.8)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

Petunidin 3-glucoside

Formula: C22H23O12+ (479.1189)
Adducts: [M+H-2H2O]+ (Ppm: 7.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

Dhghab

Formula: C22H17N5O8 (479.1077)
Adducts: [M+H-2H2O]+ (Ppm: 4)
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.

Selinexor

Formula: C17H11F6N7O (443.0929)
Adducts: [M+H]+ (Ppm: 19.1)
Mus musculus (Lung)
image4
Resolution: 40μm, 162x156

Description

Fig 6c Fig. 6 MALDI-MSI of U13C-PC16:0/16:0 acyl chain remodeling. A: Averaged MALDI mass spectrum from lung tissue collected from mice euthanized 12 h after administration of D9-choline and U13C-DPPC–containing Poractant alfa surfactant. The ion at m/z 828.6321 is assigned as the [M+Na]+ ion of 13C24-PC16:0_20:4 formed by acyl remodeling of U13C-PC16:0/16:0. The “NL” value refers to the intensity of the base peak in the full range MS1 spectrum. B: MS/MS spectrum of precursor ions at m/z 828.5 ± 0.5 with fragment ions originating from [13C24-PC16:0_20:4+Na]+ annotated. Part-per-million (ppm) mass errors are provided in parentheses. C, D: MALDI-MSI data of [U13C-DPPC+Na]+ (blue), [PC36:4+Na]+ (green) and [13C24-PC16:0_20:4+Na]+ (red) in lung tissue collected from mice (C) 12 h and (D) 18 h after label administration. All images were visualized using total-ion-current normalization and hotspot removal (high quantile = 99%). MS/MS, tandem mass spectrometry; MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

Trifluoperazine 2HCl

Formula: C21H26Cl2F3N3S (479.1176)
Adducts: [M+H-2H2O]+ (Ppm: 11)
Posidonia oceanica (root)
20190614_MS1_A19r-20
Resolution: 17μm, 262x276

Description

Seagrasses are one of the most efficient natural sinks of carbon dioxide (CO2) on Earth. Despite covering less than 0.1% of coastal regions, they have the capacity to bury up to 10% of marine organic matter and can bury the same amount of carbon 35 times faster than tropical rainforests. On land, the soil’s ability to sequestrate carbon is intimately linked to microbial metabolism. Despite the growing attention to the link between plant production, microbial communities, and the carbon cycle in terrestrial ecosystems, these processes remain enigmatic in the sea. Here, we show that seagrasses excrete organic sugars, namely in the form of sucrose, into their rhizospheres. Surprisingly, the microbial communities living underneath meadows do not fully use this sugar stock in their metabolism. Instead, sucrose piles up in the sediments to mM concentrations underneath multiple types of seagrass meadows. Sediment incubation experiments show that microbial communities living underneath a meadow use sucrose at low metabolic rates. Our metagenomic analyses revealed that the distinct community of microorganisms occurring underneath meadows is limited in their ability to degrade simple sugars, which allows these compounds to persist in the environment over relatively long periods of time. Our findings reveal how seagrasses form blue carbon stocks despite the relatively small area they occupy. Unfortunately, anthropogenic disturbances are threatening the long-term persistence of seagrass meadows. Given that these sediments contain a large stock of sugars that heterotopic bacteria can degrade, it is even more important to protect these ecosystems from degradation.