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 484.0623
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000017954 Reliable 484.057 484.057 ~ 484.057
MzDiff: 0.1 ppm
methyl 3,4,5-trihydroxy-2-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-5-yl}benzoate (BioDeep_00002067176)
Formula: C22H12O13 (484.0278)
0.9 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000018084 Reliable 484.0623 484.0623 ~ 484.0623
MzDiff: 0.1 ppm
Not Annotated 0.51 (0%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000010833 Unreliable 484.0661 484.0661 ~ 484.0661
MzDiff: none
Iodiconazole (BioDeep_00000180046)
Formula: C19H19F2IN4O (484.0572)
3.1 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000009815 Unavailable 484.0661 484.0661 ~ 484.0661
MzDiff: none
Iodiconazole (BioDeep_00000180046)
Formula: C19H19F2IN4O (484.0572)
-1.73 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000017722 Unreliable 484.0583 484.0583 ~ 484.0583
MzDiff: none
methyl 3,4,5-trihydroxy-2-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-5-yl}benzoate (BioDeep_00002067176)
Formula: C22H12O13 (484.0278)
1.6 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000016639 Unreliable 484.0583 484.0583 ~ 484.0583
MzDiff: none
methyl 3,4,5-trihydroxy-2-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-5-yl}benzoate (BioDeep_00002067176)
Formula: C22H12O13 (484.0278)
0.33 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000016684 Unreliable 484.057 484.057 ~ 484.057
MzDiff: none
methyl 3,4,5-trihydroxy-2-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-5-yl}benzoate (BioDeep_00002067176)
Formula: C22H12O13 (484.0278)
0.24 (100%) Vitis vinifera
[PO:0009086] endocarp

Found 6 Sample Hits
Metabolite Species Sample
Iodiconazole

Formula: C19H19F2IN4O (484.0572)
Adducts: [M]+ (Ppm: 19.6)
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.

m/z_484.0623

Formula: - (n/a)
Adducts: (Ppm: 0)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

methyl 3,4,5-trihydroxy-2-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-5-yl}benzoate

Formula: C22H12O13 (484.0278)
Adducts: [M-H2O+NH4]+ (Ppm: 15)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

m/z_484.0623

Formula: - (n/a)
Adducts: (Ppm: 0)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

Penoxsulam

Formula: C16H14F5N5O5S (483.0636)
Adducts: [M+H]+ (Ppm: 6.3)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

carlliiionaln

Formula: C12H14N6O10S2 (466.0213)
Adducts: [M+NH4]+ (Ppm: 17.8)
Drosophila melanogaster (brain)
Drosophila18
Resolution: 5μm, 686x685

Description

Sample information Organism: Drosophila melanogaster Organism part: Brain Condition: Healthy Sample preparation Sample stabilisation: Frozen Tissue modification: Frozen MALDI matrix: 2,5-dihydroxybenzoic acid (DHB) MALDI matrix application: TM sprayer Solvent: Aceton/water MS analysis Polarity: Positive Ionisation source: Prototype Analyzer: Orbitrap Pixel size: 5μm × 5μm Annotation settings m/z tolerance (ppm): 3 Analysis version: Original MSM Pixel count: 469910 Imzml file size: 696.23 MB Ibd file size: 814.11 MB