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 30 Reference Ions Near m/z 478.3385
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006399 Reliable 478.3293 478.3292 ~ 478.3294
MzDiff: 0.7 ppm
LysoPC(16:0/0:0) (BioDeep_00000018630)
Formula: C24H50NO7P (495.3325)
6.76 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000011625 Unavailable 478.3339 478.3339 ~ 478.3339
MzDiff: none
Not Annotated -1.57 (%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011660 Unavailable 478.3396 478.3396 ~ 478.3396
MzDiff: none
Hexosylsphingosine (BioDeep_00000179768)
Formula: C24H47NO8 (477.3302)
-1.92 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000026412 Unreliable 478.3287 478.3282 ~ 478.3289
MzDiff: 2.9 ppm
Gentamicin (BioDeep_00000006570)
Formula: C21H43N5O7 (477.3162)
3.98 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000010684 Unavailable 478.3294 478.3294 ~ 478.3294
MzDiff: 0.0 ppm
Gentamicin (BioDeep_00000006570)
Formula: C21H43N5O7 (477.3162)
-2.65 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000061448 Unreliable 478.3295 478.3295 ~ 478.3295
MzDiff: 0.0 ppm
LysoPC(16:0/0:0) (BioDeep_00000018630)
Formula: C24H50NO7P (495.3325)
1.81 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000012266 Unavailable 478.3294 478.3294 ~ 478.3294
MzDiff: none
Gentamicin (BioDeep_00000006570)
Formula: C21H43N5O7 (477.3162)
-1.11 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000058572 Unreliable 478.3294 478.3292 ~ 478.3295
MzDiff: 1.3 ppm
LysoPC(16:0/0:0) (BioDeep_00000018630)
Formula: C24H50NO7P (495.3325)
2.22 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000021782 Unreliable 478.3303 478.3303 ~ 478.3303
MzDiff: none
Gentamicin (BioDeep_00000006570)
Formula: C21H43N5O7 (477.3162)
0.65 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000009474 Unavailable 478.3339 478.3339 ~ 478.3339
MzDiff: none
Not Annotated -0.5 (%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009336 Unreliable 478.3396 478.3396 ~ 478.3396
MzDiff: none
Hexosylsphingosine (BioDeep_00000179768)
Formula: C24H47NO8 (477.3302)
(100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000033869 Unreliable 478.3288 478.3288 ~ 478.3288
MzDiff: none
LysoPC(16:0/0:0) (BioDeep_00000018630)
Formula: C24H50NO7P (495.3325)
0.35 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000034951 Unavailable 478.3288 478.3288 ~ 478.3288
MzDiff: none
LysoPC(16:0/0:0) (BioDeep_00000018630)
Formula: C24H50NO7P (495.3325)
-0.33 (100%) Posidonia oceanica
[PO:0006036] root epidermis
MSI_000049989 Unreliable 478.3291 478.3291 ~ 478.3291
MzDiff: none
Gentamicin (BioDeep_00000006570)
Formula: C21H43N5O7 (477.3162)
1.26 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000051094 Unreliable 478.3291 478.3291 ~ 478.3291
MzDiff: none
Gentamicin (BioDeep_00000006570)
Formula: C21H43N5O7 (477.3162)
0.04 (100%) Mytilus edulis
[UBERON:2001856] gill ray
MSI_000059939 Unavailable 478.3292 478.3292 ~ 478.3292
MzDiff: none
LysoPC(16:0/0:0) (BioDeep_00000018630)
Formula: C24H50NO7P (495.3325)
-0.73 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000060678 Unavailable 478.3292 478.3292 ~ 478.3292
MzDiff: none
LysoPC(16:0/0:0) (BioDeep_00000018630)
Formula: C24H50NO7P (495.3325)
-0.41 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000043969 Unreliable 478.3292 478.3292 ~ 478.3292
MzDiff: none
LysoPC(16:0/0:0) (BioDeep_00000018630)
Formula: C24H50NO7P (495.3325)
2.23 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000032133 Unreliable 478.3297 478.3297 ~ 478.3297
MzDiff: none
LysoPC(16:0/0:0) (BioDeep_00000018630)
Formula: C24H50NO7P (495.3325)
1.5 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000013327 Unreliable 478.3299 478.3299 ~ 478.3299
MzDiff: none
LysoPC(16:0/0:0) (BioDeep_00000018630)
Formula: C24H50NO7P (495.3325)
1.59 (100%) Plant
[PO:0005417] phloem
MSI_000015024 Unavailable 478.3299 478.3299 ~ 478.3299
MzDiff: none
LysoPC(16:0/0:0) (BioDeep_00000018630)
Formula: C24H50NO7P (495.3325)
-0.53 (100%) Plant
[PO:0006036] root epidermis
MSI_000018983 Unavailable 478.3299 478.3299 ~ 478.3299
MzDiff: none
LysoPC(16:0/0:0) (BioDeep_00000018630)
Formula: C24H50NO7P (495.3325)
-0.06 (100%) Plant
[PO:0020124] root stele
MSI_000019629 Unreliable 478.3299 478.3299 ~ 478.3299
MzDiff: none
LysoPC(16:0/0:0) (BioDeep_00000018630)
Formula: C24H50NO7P (495.3325)
0.09 (100%) Plant
[PO:0025197] stele
MSI_000002486 Unreliable 478.3321 478.3321 ~ 478.3321
MzDiff: none
Gentamicin (BioDeep_00000006570)
Formula: C21H43N5O7 (477.3162)
0.94 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003117 Unreliable 478.3321 478.3321 ~ 478.3321
MzDiff: none
Gentamicin (BioDeep_00000006570)
Formula: C21H43N5O7 (477.3162)
1.99 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000005076 Unavailable 478.3321 478.3321 ~ 478.3321
MzDiff: none
Gentamicin (BioDeep_00000006570)
Formula: C21H43N5O7 (477.3162)
-0.48 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005951 Unavailable 478.3321 478.3321 ~ 478.3321
MzDiff: none
Gentamicin (BioDeep_00000006570)
Formula: C21H43N5O7 (477.3162)
-1.07 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000000542 Unavailable 478.3339 478.3339 ~ 478.3339
MzDiff: none
Not Annotated -0.4 (%) Mus musculus
[CL:0000066] epithelial cell
MSI_000057183 Unreliable 478.3385 478.3385 ~ 478.3385
MzDiff: none
LysoPC(16:0/0:0) (BioDeep_00000018630)
Formula: C24H50NO7P (495.3325)
1.31 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000000609 Unavailable 478.3396 478.3396 ~ 478.3396
MzDiff: none
Hexosylsphingosine (BioDeep_00000179768)
Formula: C24H47NO8 (477.3302)
-0.5 (100%) Mus musculus
[CL:0000066] epithelial cell

Found 6 Sample Hits
Metabolite Species Sample
Hexosylsphingosine

Formula: C24H47NO8 (477.3302)
Adducts: [M+H]+ (Ppm: 4.5)
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.

Gentamicin

Formula: C21H43N5O7 (477.3162)
Adducts: [M+H]+ (Ppm: 11.1)
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

Gentamicin

Formula: C21H43N5O7 (477.3162)
Adducts: [M+H]+ (Ppm: 9.8)
Mus musculus (Lung)
image4
Resolution: 40μm, 162x156

Description

Fig 6c Fig. 6 MALDI-MSI of U13C-PC16:0/16:0 acyl chain remodeling. A: Averaged MALDI mass spectrum from lung tissue collected from mice euthanized 12 h after administration of D9-choline and U13C-DPPC–containing Poractant alfa surfactant. The ion at m/z 828.6321 is assigned as the [M+Na]+ ion of 13C24-PC16:0_20:4 formed by acyl remodeling of U13C-PC16:0/16:0. The “NL” value refers to the intensity of the base peak in the full range MS1 spectrum. B: MS/MS spectrum of precursor ions at m/z 828.5 ± 0.5 with fragment ions originating from [13C24-PC16:0_20:4+Na]+ annotated. Part-per-million (ppm) mass errors are provided in parentheses. C, D: MALDI-MSI data of [U13C-DPPC+Na]+ (blue), [PC36:4+Na]+ (green) and [13C24-PC16:0_20:4+Na]+ (red) in lung tissue collected from mice (C) 12 h and (D) 18 h after label administration. All images were visualized using total-ion-current normalization and hotspot removal (high quantile = 99%). MS/MS, tandem mass spectrometry; MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

Gentamicin

Formula: C21H43N5O7 (477.3162)
Adducts: [M+H]+ (Ppm: 11.3)
Mus musculus (Lung)
image2
Resolution: 40μm, 550x256

Description

Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).

LysoPC(16:0/0:0)

Formula: C24H50NO7P (495.3325)
Adducts: [M+H-H2O]+ (Ppm: 19.5)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

LysoPC(16:0/0:0)

Formula: C24H50NO7P (495.3325)
Adducts: [M+H-H2O]+ (Ppm: )
Mus musculus (brain)
Brain01_Bregma-3-88b_centroid
Resolution: 17μm, 265x320

Description