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 26 Reference Ions Near m/z 783.5544
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000020839 Reliable 783.5484 783.5481 ~ 783.5486
MzDiff: 2.4 ppm
PE(18:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000186082)
Formula: C43H78NO9P (783.5414)
5.8 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000007554 Reliable 783.5605 783.5602 ~ 783.5607
MzDiff: 2.0 ppm
PA(21:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000190439)
Formula: C44H79O9P (782.5461)
6.24 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000020398 Reliable 783.5544 783.5541 ~ 783.5549
MzDiff: 3.3 ppm
Not Annotated 5.76 (%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000021189 Unreliable 783.5477 783.5476 ~ 783.5478
MzDiff: 0.8 ppm
PA(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107676)
Formula: C47H77O8P (800.5356)
3.3 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000008901 Unreliable 783.5453 783.5453 ~ 783.5453
MzDiff: none
Not Annotated 3.21 (%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000008953 Unreliable 783.5534 783.5534 ~ 783.5534
MzDiff: none
2-(2-{2-[(2-{2-[n,3-dimethyl-2-(n-methyl-1-phenylformamido)butanamido]-n,3-dimethylbutanamido}-1-hydroxy-3-methylbutylidene)amino]-n,3-dimethylbutanamido}-n,3-dimethylpentanamido)-3-methylbutanoic acid (BioDeep_00002060030)
Formula: C43H72N6O8 (800.5411)
3.19 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000008960 Unreliable 783.5616 783.5616 ~ 783.5616
MzDiff: none
PA(21:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000190439)
Formula: C44H79O9P (782.5461)
3.19 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000687 Unavailable 783.5453 783.5453 ~ 783.5453
MzDiff: none
Not Annotated -0.55 (%) Mus musculus
[CL:0000066] epithelial cell
MSI_000029520 Unreliable 783.5472 783.5472 ~ 783.5472
MzDiff: none
PA(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107676)
Formula: C47H77O8P (800.5356)
0.56 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030391 Unreliable 783.5472 783.5472 ~ 783.5472
MzDiff: none
PA(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107676)
Formula: C47H77O8P (800.5356)
1.83 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000000651 Unavailable 783.5534 783.5534 ~ 783.5534
MzDiff: none
2-(2-{2-[(2-{2-[n,3-dimethyl-2-(n-methyl-1-phenylformamido)butanamido]-n,3-dimethylbutanamido}-1-hydroxy-3-methylbutylidene)amino]-n,3-dimethylbutanamido}-n,3-dimethylpentanamido)-3-methylbutanoic acid (BioDeep_00002060030)
Formula: C43H72N6O8 (800.5411)
-0.53 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028645 Unreliable 783.5551 783.5551 ~ 783.5551
MzDiff: none
Not Annotated 0.68 (%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029496 Unreliable 783.5551 783.5551 ~ 783.5551
MzDiff: none
Not Annotated 0.67 (%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030708 Unreliable 783.5551 783.5551 ~ 783.5551
MzDiff: none
Not Annotated 1.19 (%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000001173 Unavailable 783.557 783.557 ~ 783.557
MzDiff: none
PA(21:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000190439)
Formula: C44H79O9P (782.5461)
-0.46 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001759 Unavailable 783.557 783.557 ~ 783.557
MzDiff: none
PA(21:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000190439)
Formula: C44H79O9P (782.5461)
-0.56 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000002204 Unavailable 783.557 783.557 ~ 783.557
MzDiff: none
PA(21:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000190439)
Formula: C44H79O9P (782.5461)
-0.55 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney
MSI_000043968 Unreliable 783.5598 783.5598 ~ 783.5598
MzDiff: none
Not Annotated 2.24 (%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000000646 Unavailable 783.5616 783.5616 ~ 783.5616
MzDiff: none
PA(21:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000190439)
Formula: C44H79O9P (782.5461)
-0.53 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028670 Unreliable 783.5617 783.5617 ~ 783.5617
MzDiff: none
PA(21:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000190439)
Formula: C44H79O9P (782.5461)
0.64 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029637 Unreliable 783.5617 783.5617 ~ 783.5617
MzDiff: none
PA(21:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000190439)
Formula: C44H79O9P (782.5461)
0.07 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030540 Unreliable 783.5617 783.5617 ~ 783.5617
MzDiff: none
PA(21:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000190439)
Formula: C44H79O9P (782.5461)
1.57 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031694 Unreliable 783.5617 783.5617 ~ 783.5617
MzDiff: none
PA(21:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000190439)
Formula: C44H79O9P (782.5461)
0.01 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000001030 Unreliable 783.5638 783.5638 ~ 783.5638
MzDiff: none
Not Annotated 0.06 (%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001728 Unavailable 783.5638 783.5638 ~ 783.5638
MzDiff: none
Not Annotated -0.54 (%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000002192 Unavailable 783.5638 783.5638 ~ 783.5638
MzDiff: none
Not Annotated -0.54 (%) Mus musculus
[UBERON:0001293] outer medulla of kidney

Found 17 Sample Hits
Metabolite Species Sample
2-(2-{2-[(2-{2-[n,3-dimethyl-2-(n-methyl-1-phenylformamido)butanamido]-n,3-dimethylbutanamido}-1-hydroxy-3-methylbutylidene)amino]-n,3-dimethylbutanamido}-n,3-dimethylpentanamido)-3-methylbutanoic acid

Formula: C43H72N6O8 (800.5411)
Adducts: [M+H-H2O]+ (Ppm: 19.8)
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.

PA(21:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H79O9P (782.5461)
Adducts: [M+H]+ (Ppm: 4.6)
Mus musculus (Kidney)
FULL_MS_centriod_CHCA_20210819
Resolution: 17μm, 638x437

Description

AP-MALDI instrument demo test, mass spectrum scan in centroid mode.

PE(18:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C43H78NO9P (783.5414)
Adducts: [M]+ (Ppm: 9.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_17
Resolution: 17μm, 208x108

Description

1 male adult wild-type rat was obtained from Inserm U1085 - Irset Research Institute (University of Rennes1, France). Animals were age 60 days and were reared under ad-lib conditions. Care and handling of all animals complied with EU directive 2010/63/EU on the protection of animals used for scientific purposes. The whole epididymis was excised from each animal immediately post-mortem, loosely wrapped rapidly in an aluminum foil and a 2.5% (w/v) carboxymethylcellulose (CMC) solution was poured to embed the epididymis to preserve their morphology. To remove air bubbles, the filled aluminum molds was gently freezed by depositing it on isopentane or dry ice, then on the nitrogen vapors and finally by progressively dipping the CMC/sample coated with aluminum foil into liquid nitrogen (or only flush with liquid nitrogen). Frozen tissues were stored at -80 °C until use to avoid degradation.

m/z_783.5545

Formula: - (n/a)
Adducts: (Ppm: )
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_17
Resolution: 17μm, 208x108

Description

1 male adult wild-type rat was obtained from Inserm U1085 - Irset Research Institute (University of Rennes1, France). Animals were age 60 days and were reared under ad-lib conditions. Care and handling of all animals complied with EU directive 2010/63/EU on the protection of animals used for scientific purposes. The whole epididymis was excised from each animal immediately post-mortem, loosely wrapped rapidly in an aluminum foil and a 2.5% (w/v) carboxymethylcellulose (CMC) solution was poured to embed the epididymis to preserve their morphology. To remove air bubbles, the filled aluminum molds was gently freezed by depositing it on isopentane or dry ice, then on the nitrogen vapors and finally by progressively dipping the CMC/sample coated with aluminum foil into liquid nitrogen (or only flush with liquid nitrogen). Frozen tissues were stored at -80 °C until use to avoid degradation.

m/z_783.5547

Formula: - (n/a)
Adducts: (Ppm: )
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

PA(21:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H79O9P (782.5461)
Adducts: [M+H]+ (Ppm: 6.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

PA(21:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H79O9P (782.5461)
Adducts: [M+H]+ (Ppm: 6.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

m/z_783.5544

Formula: - (n/a)
Adducts: (Ppm: )
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

m/z_783.5549

Formula: - (n/a)
Adducts: (Ppm: )
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

PE(18:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C43H78NO9P (783.5414)
Adducts: [M]+ (Ppm: 9.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

m/z_783.5541

Formula: - (n/a)
Adducts: (Ppm: )
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

PA(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C47H77O8P (800.5356)
Adducts: [M+H-H2O]+ (Ppm: 19.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

m/z_783.5538

Formula: - (n/a)
Adducts: (Ppm: )
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

m/z_783.5541

Formula: - (n/a)
Adducts: (Ppm: )
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

m/z_783.5541

Formula: - (n/a)
Adducts: (Ppm: )
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

PA(21:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H79O9P (782.5461)
Adducts: [M+H]+ (Ppm: 9.3)
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.

m/z_783.5551

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