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 19 Reference Ions Near m/z 534.2839
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006572 Reliable 534.2904 534.2903 ~ 534.2906
MzDiff: 1.5 ppm
Udenafil (BioDeep_00000018054)
Formula: C25H36N6O4S (516.2519)
5.36 (47%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000055651 Unreliable 534.2852 534.2851 ~ 534.2854
MzDiff: 1.2 ppm
Udenafil (BioDeep_00000018054)
Formula: C25H36N6O4S (516.2519)
1.65 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000010680 Unavailable 534.2785 534.2785 ~ 534.2786
MzDiff: 0.5 ppm
Ergovaline (BioDeep_00000178784)
Formula: C29H35N5O5 (533.2638)
-2.6 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000010576 Unavailable 534.2866 534.2865 ~ 534.2866
MzDiff: 0.4 ppm
Not Annotated -1.88 (%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000009261 Unreliable 534.276 534.276 ~ 534.276
MzDiff: none
Ergovaline (BioDeep_00000178784)
Formula: C29H35N5O5 (533.2638)
2.1 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000011813 Unreliable 534.2785 534.2785 ~ 534.2785
MzDiff: 0.0 ppm
Ergovaline (BioDeep_00000178784)
Formula: C29H35N5O5 (533.2638)
1.13 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000009013 Unreliable 534.2839 534.2839 ~ 534.2839
MzDiff: none
Pralsetinib (BioDeep_00000229501)
Formula: C27H32FN9O2 (533.2663)
3.15 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000011783 Unreliable 534.2866 534.2866 ~ 534.2866
MzDiff: 0.0 ppm
Not Annotated 1.58 (%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000008985 Unreliable 534.293 534.293 ~ 534.293
MzDiff: none
Eriojaposide B (BioDeep_00000011945)
Formula: C25H40O11 (516.257)
3.17 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000464 Unavailable 534.276 534.276 ~ 534.276
MzDiff: none
Ergovaline (BioDeep_00000178784)
Formula: C29H35N5O5 (533.2638)
-0.2 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000022526 Unreliable 534.2791 534.2791 ~ 534.2791
MzDiff: none
Ergovaline (BioDeep_00000178784)
Formula: C29H35N5O5 (533.2638)
1.63 (100%) Mus musculus
[UBERON:0004250] upper arm bone
MSI_000000531 Unavailable 534.2839 534.2839 ~ 534.2839
MzDiff: none
Pralsetinib (BioDeep_00000229501)
Formula: C27H32FN9O2 (533.2663)
-0.37 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000056278 Unavailable 534.2854 534.2854 ~ 534.2854
MzDiff: none
Udenafil (BioDeep_00000018054)
Formula: C25H36N6O4S (516.2519)
-0.59 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000028243 Unreliable 534.2907 534.2907 ~ 534.2907
MzDiff: none
Eriojaposide B (BioDeep_00000011945)
Formula: C25H40O11 (516.257)
1.62 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000030933 Unreliable 534.2907 534.2907 ~ 534.2907
MzDiff: none
Eriojaposide B (BioDeep_00000011945)
Formula: C25H40O11 (516.257)
0.55 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000000600 Unavailable 534.293 534.293 ~ 534.293
MzDiff: none
Eriojaposide B (BioDeep_00000011945)
Formula: C25H40O11 (516.257)
-0.49 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000001457 Unavailable 534.2933 534.2933 ~ 534.2933
MzDiff: none
Eriojaposide B (BioDeep_00000011945)
Formula: C25H40O11 (516.257)
-1.03 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001486 Unavailable 534.2933 534.2933 ~ 534.2933
MzDiff: none
Eriojaposide B (BioDeep_00000011945)
Formula: C25H40O11 (516.257)
-0.01 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000002377 Unavailable 534.2933 534.2933 ~ 534.2933
MzDiff: none
Eriojaposide B (BioDeep_00000011945)
Formula: C25H40O11 (516.257)
-0.96 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney

Found 12 Sample Hits
Metabolite Species Sample
Pralsetinib

Formula: C27H32FN9O2 (533.2663)
Adducts: [M+H]+ (Ppm: 19.3)
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.

m/z_534.2866

Formula: - (n/a)
Adducts: (Ppm: )
Bathymodiolus (epithelial host cells)
MPIMM_054_QE_P_BP_CF_Bputeoserpentis_MALDI-FISH8_Sl16_s1_DHB_233x233_3um
Resolution: 3μm, 233x233

Description

m/z_534.2865

Formula: - (n/a)
Adducts: (Ppm: )
Bathymodiolus (epithelial host cells)
MPIMM_039_QE_P_BP_CF_Bputeoserpentis_MALDI-FISH8_Sl14_s1_DHB_233x233_3um
Resolution: 3μm, 233x234

Description

Udenafil

Formula: C25H36N6O4S (516.2519)
Adducts: [M+NH4]+ (Ppm: 9.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

Corchoroside A

Formula: C29H42O9 (534.2829)
Adducts: [M]+ (Ppm: 15.3)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

PA(2:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C25H41O9P (516.2488)
Adducts: [M+NH4]+ (Ppm: 16.4)
Mus musculus (Lung)
image1
Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. 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. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

Ergovaline

Formula: C29H35N5O5 (533.2638)
Adducts: [M+H]+ (Ppm: 15)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

Eriojaposide B

Formula: C25H40O11 (516.257)
Adducts: [M+NH4]+ (Ppm: 0.3)
Macropus giganteus (Brain)
170321_kangaroobrain-dan3-pos_maxof50.0_med1
Resolution: 50μm, 81x50

Description

Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild

Udenafil

Formula: C25H36N6O4S (516.2519)
Adducts: [M+NH4]+ (Ppm: 1.1)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

Udenafil

Formula: C25H36N6O4S (516.2519)
Adducts: [M+NH4]+ (Ppm: 0.5)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

Udenafil

Formula: C25H36N6O4S (516.2519)
Adducts: [M+NH4]+ (Ppm: 1.8)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

Udenafil

Formula: C25H36N6O4S (516.2519)
Adducts: [M+NH4]+ (Ppm: 1.8)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description