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 15 Reference Ions Near m/z 359.0426
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000017877 Reliable 359.035 359.035 ~ 359.035
MzDiff: 0.2 ppm
Distemonanthin (BioDeep_00000266317)
Formula: C17H10O9 (358.0325)
1.18 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000053802 Unreliable 359.0525 359.0522 ~ 359.0525
MzDiff: 1.3 ppm
Sinigrin (BioDeep_00000003569)
Formula: C10H17NO9S2 (359.0345)
4.41 (75%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000056883 Unreliable 359.0448 359.0447 ~ 359.0448
MzDiff: 0.6 ppm
Triflumuron (BioDeep_00000002504)
Formula: C15H10ClF3N2O3 (358.0332)
2.85 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000012696 Unavailable 359.0334 359.0334 ~ 359.0334
MzDiff: none
Distemonanthin (BioDeep_00000266317)
Formula: C17H10O9 (358.0325)
-0.38 (100%) Plant
[PO:0005020] vascular bundle
MSI_000012979 Unavailable 359.0504 359.0504 ~ 359.0504
MzDiff: none
1'-hydroxytriazolam (BioDeep_00000018389)
Formula: C17H12Cl2N4O (358.0388)
-0.58 (100%) Plant
[PO:0005020] vascular bundle
MSI_000013863 Unreliable 359.0504 359.0504 ~ 359.0504
MzDiff: none
1'-hydroxytriazolam (BioDeep_00000018389)
Formula: C17H12Cl2N4O (358.0388)
0.01 (100%) Plant
[PO:0005417] phloem
MSI_000013932 Unavailable 359.0334 359.0334 ~ 359.0334
MzDiff: none
Distemonanthin (BioDeep_00000266317)
Formula: C17H10O9 (358.0325)
-0.1 (100%) Plant
[PO:0005417] phloem
MSI_000015151 Unavailable 359.0504 359.0504 ~ 359.0504
MzDiff: none
1'-hydroxytriazolam (BioDeep_00000018389)
Formula: C17H12Cl2N4O (358.0388)
-0.59 (100%) Plant
[PO:0006036] root epidermis
MSI_000015187 Unavailable 359.0334 359.0334 ~ 359.0334
MzDiff: none
Distemonanthin (BioDeep_00000266317)
Formula: C17H10O9 (358.0325)
-0.61 (100%) Plant
[PO:0006036] root epidermis
MSI_000018517 Unreliable 359.0334 359.0334 ~ 359.0334
MzDiff: none
Distemonanthin (BioDeep_00000266317)
Formula: C17H10O9 (358.0325)
1.74 (100%) Plant
[PO:0020124] root stele
MSI_000018550 Unreliable 359.0504 359.0504 ~ 359.0504
MzDiff: none
1'-hydroxytriazolam (BioDeep_00000018389)
Formula: C17H12Cl2N4O (358.0388)
1.73 (100%) Plant
[PO:0020124] root stele
MSI_000027420 Unreliable 359.0448 359.0448 ~ 359.0448
MzDiff: none
[(2S)-1-(4-Amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-phosphonooxyphosphinic acid (BioDeep_00000177489)
Formula: C8H15N3O9P2 (359.0284)
2.01 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000032790 Unreliable 359.0505 359.0505 ~ 359.0505
MzDiff: none
Dicumarol (BioDeep_00000000776)
Formula: C19H12O6 (336.0634)
0.26 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000033662 Unreliable 359.0505 359.0505 ~ 359.0505
MzDiff: none
Dicumarol (BioDeep_00000000776)
Formula: C19H12O6 (336.0634)
1.12 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000039623 Unreliable 359.0347 359.0347 ~ 359.0347
MzDiff: none
Distemonanthin (BioDeep_00000266317)
Formula: C17H10O9 (358.0325)
2.23 (100%) Posidonia oceanica
[PO:0005417] phloem

Found 18 Sample Hits
Metabolite Species Sample
Triflumuron

Formula: C15H10ClF3N2O3 (358.0332)
Adducts: [M+H]+ (Ppm: 0.6)
Marker Pen (NA)
3ul_0.8Mpa_RAW_20241016-PAPER PNMK
Resolution: 30μm, 315x42

Description

By writing the four English letters “PNMK” on white paper with a marker pen, and then scanning with a DESI ion source to obtain the scanning result. The signal of the chemical substances on the marker pen used appears on the channel with an m/z value of 322.1918, 323.1953, 546.4010, and etc, from the single cell deconvolution sampling layer class_4. This test data was tested by chuxiaoping from PANOMIX’s R&D laboratory.

1'-hydroxytriazolam

Formula: C17H12Cl2N4O (358.0388)
Adducts: [M+H]+ (Ppm: 12)
Plant (Root)
MPIMM_035_QE_P_PO_6pm
Resolution: 30μm, 165x170

Description

Triflumuron

Formula: C15H10ClF3N2O3 (358.0332)
Adducts: [M+H]+ (Ppm: 19.6)
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

Triflumuron

Formula: C15H10ClF3N2O3 (358.0332)
Adducts: [M+H]+ (Ppm: 2.6)
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.

[(2S)-1-(4-Amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-phosphonooxyphosphinic acid

Formula: C8H15N3O9P2 (359.0284)
Adducts: [M-H2O+NH4]+ (Ppm: 19)
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%).

Triflumuron

Formula: C15H10ClF3N2O3 (358.0332)
Adducts: [M+H]+ (Ppm: 14.3)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

Triflumuron

Formula: C15H10ClF3N2O3 (358.0332)
Adducts: [M+H]+ (Ppm: 2)
Homo sapiens (colorectal adenocarcinoma)
80TopL, 50TopR, 70BottomL, 60BottomR-profile
Resolution: 17μm, 137x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

Triflumuron

Formula: C15H10ClF3N2O3 (358.0332)
Adducts: [M+H]+ (Ppm: 0.2)
Homo sapiens (colorectal adenocarcinoma)
520TopL, 490TopR, 510BottomL, 500BottomR-profile
Resolution: 17μm, 147x131

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

Triflumuron

Formula: C15H10ClF3N2O3 (358.0332)
Adducts: [M+H]+ (Ppm: 5.9)
Homo sapiens (colorectal adenocarcinoma)
439TopL, 409TopR, 429BottomL, 419BottomR-profile
Resolution: 17μm, 157x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

Triflumuron

Formula: C15H10ClF3N2O3 (358.0332)
Adducts: [M+H]+ (Ppm: 12)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

Triflumuron

Formula: C15H10ClF3N2O3 (358.0332)
Adducts: [M+H]+ (Ppm: 12.3)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

1'-hydroxytriazolam

Formula: C17H12Cl2N4O (358.0388)
Adducts: [M+H]+ (Ppm: 1.6)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

1'-hydroxytriazolam

Formula: C17H12Cl2N4O (358.0388)
Adducts: [M+H]+ (Ppm: 1.4)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

Triflumuron

Formula: C15H10ClF3N2O3 (358.0332)
Adducts: [M+H]+ (Ppm: 13.4)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

Triflumuron

Formula: C15H10ClF3N2O3 (358.0332)
Adducts: [M+H]+ (Ppm: 11.8)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

Triflumuron

Formula: C15H10ClF3N2O3 (358.0332)
Adducts: [M+H]+ (Ppm: 12.9)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

Triflumuron

Formula: C15H10ClF3N2O3 (358.0332)
Adducts: [M+H]+ (Ppm: 11.5)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

Triflumuron

Formula: C15H10ClF3N2O3 (358.0332)
Adducts: [M+H]+ (Ppm: 12.3)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description