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 11 Reference Ions Near m/z 828.5334
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000058214 Reliable 828.5425 828.542 ~ 828.5427
MzDiff: 2.5 ppm
PS(18:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000206310)
Formula: C44H78NO11P (827.5312)
3.43 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000027502 Unreliable 828.5424 828.5421 ~ 828.5426
MzDiff: 2.3 ppm
PE-NMe2(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000106957)
Formula: C51H78NO8P (863.5465)
3.63 (50%) Mus musculus
[UBERON:0002048] lung
MSI_000001264 Unavailable 828.541 828.541 ~ 828.541
MzDiff: none
PC(18:3/22:6) (BioDeep_00001979859)
Formula: C48H78NO8P (827.5465)
-0.53 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001660 Unavailable 828.541 828.541 ~ 828.541
MzDiff: none
PC(18:3/22:6) (BioDeep_00001979859)
Formula: C48H78NO8P (827.5465)
-0.48 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000002163 Unavailable 828.541 828.541 ~ 828.541
MzDiff: none
PC(18:3/22:6) (BioDeep_00001979859)
Formula: C48H78NO8P (827.5465)
-0.51 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney
MSI_000028322 Unreliable 828.539 828.539 ~ 828.539
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/18:1(9Z)) (BioDeep_00000032552)
Formula: C42H79NO11S (805.5374)
1.4 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029799 Unavailable 828.5337 828.5337 ~ 828.5337
MzDiff: none
Not Annotated -0.25 (0%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000031027 Unreliable 828.539 828.539 ~ 828.539
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/18:1(9Z)) (BioDeep_00000032552)
Formula: C42H79NO11S (805.5374)
0.26 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031968 Unavailable 828.539 828.539 ~ 828.539
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/18:1(9Z)) (BioDeep_00000032552)
Formula: C42H79NO11S (805.5374)
-0.32 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000044202 Unreliable 828.5296 828.5296 ~ 828.5296
MzDiff: none
PE-NMe2(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000106957)
Formula: C51H78NO8P (863.5465)
0.68 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000058358 Unreliable 828.5404 828.5404 ~ 828.5404
MzDiff: none
PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000029768)
Formula: C48H78NO8P (827.5465)
1.12 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 6 Sample Hits
Metabolite Species Sample
m/z_828.5307

Formula: - (n/a)
Adducts: (Ppm: 0)
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_828.5313

Formula: - (n/a)
Adducts: (Ppm: 0)
Mus musculus (Lung)
image5
Resolution: 40μm, 163x183

Description

Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). 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-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green). Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0.

m/z_828.5337

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

PE(20:4(5Z,8Z,11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H74NO9P (827.5101)
Adducts: [M+H]+ (Ppm: 19.3)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

PE(20:4(5Z,8Z,11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C47H74NO9P (827.5101)
Adducts: [M+H]+ (Ppm: 17.5)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

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

Formula: C44H78NO11P (827.5312)
Adducts: [M+H]+ (Ppm: 2.4)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description