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 20 Reference Ions Near m/z 556.047
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000054209 Unreliable 556.0406 556.0401 ~ 556.041
MzDiff: 3.6 ppm
6-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy}-3,4-dihydroxy-5-(sulfooxy)oxane-2-carboxylic acid (BioDeep_00002235437)
Formula: C22H20O15S (556.0523)
3.16 (60%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000010997 Unreliable 556.047 556.047 ~ 556.047
MzDiff: none
5-Amino-1-[carboxy(methyl)amino]pentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid (BioDeep_00000185384)
Formula: C16H16N2O20 (556.0296)
2.68 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011003 Unreliable 556.0372 556.0372 ~ 556.0372
MzDiff: none
trans-zeatin riboside triphosphate (BioDeep_00000011186)
Formula: C15H24N5O14P3 (591.0533)
2.65 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011254 Unreliable 556.0555 556.0555 ~ 556.0555
MzDiff: none
2-[(2s,6r,7r,10r)-7,15-dihydroxy-2-methyl-5,9,11-trioxo-18-(sulfooxy)-8-azapentacyclo[10.8.0.0²,¹⁰.0⁶,¹⁰.0¹⁴,¹⁹]icosa-1(20),12,14,16,18-pentaen-8-yl]ethanesulfonic acid (BioDeep_00002231455)
Formula: C22H21NO12S2 (555.0505)
1.63 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000010456 Unavailable 556.0404 556.0404 ~ 556.0404
MzDiff: 0.1 ppm
trans-zeatin riboside triphosphate (BioDeep_00000011186)
Formula: C15H24N5O14P3 (591.0533)
-1.47 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000009350 Unavailable 556.0555 556.0555 ~ 556.0555
MzDiff: none
2-[(2s,6r,7r,10r)-7,15-dihydroxy-2-methyl-5,9,11-trioxo-18-(sulfooxy)-8-azapentacyclo[10.8.0.0²,¹⁰.0⁶,¹⁰.0¹⁴,¹⁹]icosa-1(20),12,14,16,18-pentaen-8-yl]ethanesulfonic acid (BioDeep_00002231455)
Formula: C22H21NO12S2 (555.0505)
-0.13 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009545 Unavailable 556.047 556.047 ~ 556.047
MzDiff: none
5-Amino-1-[carboxy(methyl)amino]pentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid (BioDeep_00000185384)
Formula: C16H16N2O20 (556.0296)
-0.85 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009553 Unavailable 556.0372 556.0372 ~ 556.0372
MzDiff: none
trans-zeatin riboside triphosphate (BioDeep_00000011186)
Formula: C15H24N5O14P3 (591.0533)
-0.89 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000012195 Unavailable 556.0404 556.0404 ~ 556.0404
MzDiff: 0.1 ppm
trans-zeatin riboside triphosphate (BioDeep_00000011186)
Formula: C15H24N5O14P3 (591.0533)
-1 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000013019 Unavailable 556.0405 556.0405 ~ 556.0405
MzDiff: none
C.I. Direct Red 45 (BioDeep_00000034529)
Formula: C24H17N3O7S3 (555.0229)
-0.62 (100%) Plant
[PO:0005020] vascular bundle
MSI_000013823 Unreliable 556.0405 556.0405 ~ 556.0405
MzDiff: none
C.I. Direct Red 45 (BioDeep_00000034529)
Formula: C24H17N3O7S3 (555.0229)
0.07 (100%) Plant
[PO:0005417] phloem
MSI_000015205 Unavailable 556.0405 556.0405 ~ 556.0405
MzDiff: none
C.I. Direct Red 45 (BioDeep_00000034529)
Formula: C24H17N3O7S3 (555.0229)
-0.62 (100%) Plant
[PO:0006036] root epidermis
MSI_000018590 Unreliable 556.0405 556.0405 ~ 556.0405
MzDiff: none
C.I. Direct Red 45 (BioDeep_00000034529)
Formula: C24H17N3O7S3 (555.0229)
1.71 (100%) Plant
[PO:0020124] root stele
MSI_000020205 Unavailable 556.0405 556.0405 ~ 556.0405
MzDiff: none
C.I. Direct Red 45 (BioDeep_00000034529)
Formula: C24H17N3O7S3 (555.0229)
-0.55 (100%) Plant
[PO:0025197] stele
MSI_000032926 Unavailable 556.04 556.04 ~ 556.04
MzDiff: none
Not Annotated -0.05 (0%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000033801 Unreliable 556.04 556.04 ~ 556.04
MzDiff: none
Not Annotated 0.55 (0%) Posidonia oceanica
[PO:0005352] xylem
MSI_000040226 Unavailable 556.0407 556.0407 ~ 556.0407
MzDiff: none
6-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy}-3,4-dihydroxy-5-(sulfooxy)oxane-2-carboxylic acid (BioDeep_00002235437)
Formula: C22H20O15S (556.0523)
-0.08 (100%) Posidonia oceanica
[PO:0005417] phloem
MSI_000050302 Unreliable 556.0517 556.0517 ~ 556.0517
MzDiff: none
5-Amino-1-[carboxy(methyl)amino]pentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid (BioDeep_00000185384)
Formula: C16H16N2O20 (556.0296)
0 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000050398 Unreliable 556.0399 556.0399 ~ 556.0399
MzDiff: none
C.I. Direct Red 45 (BioDeep_00000034529)
Formula: C24H17N3O7S3 (555.0229)
0 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000051134 Unreliable 556.0399 556.0399 ~ 556.0399
MzDiff: none
C.I. Direct Red 45 (BioDeep_00000034529)
Formula: C24H17N3O7S3 (555.0229)
0 (100%) Mytilus edulis
[UBERON:2001856] gill ray

Found 3 Sample Hits
Metabolite Species Sample
5-Amino-1-[carboxy(methyl)amino]pentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid

Formula: C16H16N2O20 (556.0296)
Adducts: [M-H2O+NH4]+ (Ppm: 10.6)
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.

5-Amino-1-[carboxy(methyl)amino]pentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid

Formula: C16H16N2O20 (556.0296)
Adducts: [M-H2O+NH4]+ (Ppm: 2.2)
Mytilus edulis (gill)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell

5-Amino-1-[carboxy(methyl)amino]pentane-1,1,2,2,3,3,4,4,5-nonacarboxylic acid

Formula: C16H16N2O20 (556.0296)
Adducts: [M-H2O+NH4]+ (Ppm: 1.6)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description