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 9 Reference Ions Near m/z 448.0045
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000053873 Reliable 448.0145 448.014 ~ 448.0149
MzDiff: 3.6 ppm
2-{[(5z)-5-{3-[(4-bromo-1h-pyrrol-2-yl)formamido]-2-hydroxypropylidene}-2-iminoimidazolidin-4-ylidene]amino}ethanesulfonic acid (BioDeep_00002233959)
Formula: C13H17BrN6O5S (448.0164)
4.03 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000010831 Unreliable 448.0045 448.0045 ~ 448.0045
MzDiff: none
{6,18,19-trihydroxy-10,14-dioxo-9,15-dioxa-12-azapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁶,²¹]henicosa-1(13),2(11),3(8),4,6,16(21),17,19-octaen-5-yl}oxidanesulfonic acid (BioDeep_00002174342)
Formula: C18H9NO11S (446.9896)
3.11 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000010875 Unreliable 448.0136 448.0136 ~ 448.0136
MzDiff: none
4,4-dinitrostilbene-2,2-disulfonic acid (BioDeep_00000009521)
Formula: C14H10N2O10S2 (429.9777)
3.01 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000053432 Unreliable 447.9961 447.9961 ~ 447.9961
MzDiff: none
Iodo-gen (BioDeep_00000174794)
Formula: C16H10Cl4N4O2 (429.9558)
2.51 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000009584 Unavailable 448.0136 448.0136 ~ 448.0136
MzDiff: none
4,4-dinitrostilbene-2,2-disulfonic acid (BioDeep_00000009521)
Formula: C14H10N2O10S2 (429.9777)
-0.99 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009613 Unavailable 448.0045 448.0045 ~ 448.0045
MzDiff: none
{6,18,19-trihydroxy-10,14-dioxo-9,15-dioxa-12-azapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁶,²¹]henicosa-1(13),2(11),3(8),4,6,16(21),17,19-octaen-5-yl}oxidanesulfonic acid (BioDeep_00002174342)
Formula: C18H9NO11S (446.9896)
-1.11 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000025812 Unreliable 448.0143 448.014 ~ 448.0146
MzDiff: 2.4 ppm
Dinitrostilbenedisulfonic acid (BioDeep_00000172725)
Formula: C14H10N2O10S2 (429.9777)
4.1 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000033643 Unreliable 448.014 448.014 ~ 448.014
MzDiff: none
2-{[(5z)-5-{3-[(4-bromo-1h-pyrrol-2-yl)formamido]-2-hydroxypropylidene}-2-iminoimidazolidin-4-ylidene]amino}ethanesulfonic acid (BioDeep_00002233959)
Formula: C13H17BrN6O5S (448.0164)
1.19 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000049977 Unreliable 448.0144 448.0144 ~ 448.0144
MzDiff: none
4,4-dinitrostilbene-2,2-disulfonic acid (BioDeep_00000009521)
Formula: C14H10N2O10S2 (429.9777)
1.28 (100%) Mytilus edulis
[UBERON:0009120] gill filament

Found 11 Sample Hits
Metabolite Species Sample
{6,18,19-trihydroxy-10,14-dioxo-9,15-dioxa-12-azapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁶,²¹]henicosa-1(13),2(11),3(8),4,6,16(21),17,19-octaen-5-yl}oxidanesulfonic acid

Formula: C18H9NO11S (446.9896)
Adducts: [M+H]+ (Ppm: 16.9)
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.

2-{[(5z)-5-{3-[(4-bromo-1h-pyrrol-2-yl)formamido]-2-hydroxypropylidene}-2-iminoimidazolidin-4-ylidene]amino}ethanesulfonic acid

Formula: C13H17BrN6O5S (448.0164)
Adducts: [M]+ (Ppm: 4.2)
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.

2-{[(5z)-5-{3-[(4-bromo-1h-pyrrol-2-yl)formamido]-2-hydroxypropylidene}-2-iminoimidazolidin-4-ylidene]amino}ethanesulfonic acid

Formula: C13H17BrN6O5S (448.0164)
Adducts: [M]+ (Ppm: 2.7)
Posidonia oceanica (root)
20190828_MS1_A19r-22
Resolution: 17μm, 292x279

Description

m/z_448.0027

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

m/z_448.0011

Formula: - (n/a)
Adducts: (Ppm: 0)
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).

Dinitrostilbenedisulfonic acid

Formula: C14H10N2O10S2 (429.9777)
Adducts: [M+NH4]+ (Ppm: 9)
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).

m/z_448.0007

Formula: - (n/a)
Adducts: (Ppm: 0)
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).

m/z_448.0039

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

m/z_448.0038

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

m/z_448.0043

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

m/z_448.0041

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description