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 4 Reference Ions Near m/z 573.3323
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000056634 Reliable 573.3324 573.3321 ~ 573.3329
MzDiff: 3.3 ppm
N-Acetyl-N-[(2S)-3-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propyl]-2-methoxybenzamide (BioDeep_00000180590)
Formula: C33H43N5O4 (573.3315)
5.75 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000027544 Unreliable 573.3356 573.3355 ~ 573.3356
MzDiff: 0.1 ppm
Tazemetostat (BioDeep_00000229512)
Formula: C34H44N4O4 (572.3362)
3.07 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000004140 Unreliable 573.3357 573.3357 ~ 573.3357
MzDiff: none
Tazemetostat (BioDeep_00000229512)
Formula: C34H44N4O4 (572.3362)
0.98 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000056975 Unreliable 573.3391 573.3391 ~ 573.3391
MzDiff: none
Tazemetostat (BioDeep_00000229512)
Formula: C34H44N4O4 (572.3362)
1.51 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 16 Sample Hits
Metabolite Species Sample
Tazemetostat

Formula: C34H44N4O4 (572.3362)
Adducts: [M+H]+ (Ppm: 14.7)
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

Tazemetostat

Formula: C34H44N4O4 (572.3362)
Adducts: [M+H]+ (Ppm: 14)
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.

Tazemetostat

Formula: C34H44N4O4 (572.3362)
Adducts: [M+H]+ (Ppm: 13.8)
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%).

m/z_573.3333

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

N-Acetyl-N-[(2S)-3-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propyl]-2-methoxybenzamide

Formula: C33H43N5O4 (573.3315)
Adducts: [M]+ (Ppm: 1.5)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

N-Acetyl-N-[(2S)-3-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propyl]-2-methoxybenzamide

Formula: C33H43N5O4 (573.3315)
Adducts: [M]+ (Ppm: 3.4)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

24-Acetyl- 25-cinnamoylvulgaroside

Formula: C36H48O8 (608.3349)
Adducts: [M+H-2H2O]+ (Ppm: 17.4)
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).

Tazemetostat

Formula: C34H44N4O4 (572.3362)
Adducts: [M+H]+ (Ppm: 16.9)
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).

N-Acetyl-N-[(2S)-3-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propyl]-2-methoxybenzamide

Formula: C33H43N5O4 (573.3315)
Adducts: [M]+ (Ppm: 1.2)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

N-Acetyl-N-[(2S)-3-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propyl]-2-methoxybenzamide

Formula: C33H43N5O4 (573.3315)
Adducts: [M]+ (Ppm: 1.3)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

N-Acetyl-N-[(2S)-3-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propyl]-2-methoxybenzamide

Formula: C33H43N5O4 (573.3315)
Adducts: [M]+ (Ppm: 2.5)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

N-Acetyl-N-[(2S)-3-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propyl]-2-methoxybenzamide

Formula: C33H43N5O4 (573.3315)
Adducts: [M]+ (Ppm: 2)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

N-Acetyl-N-[(2S)-3-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propyl]-2-methoxybenzamide

Formula: C33H43N5O4 (573.3315)
Adducts: [M]+ (Ppm: 2.5)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

N-Acetyl-N-[(2S)-3-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propyl]-2-methoxybenzamide

Formula: C33H43N5O4 (573.3315)
Adducts: [M]+ (Ppm: 2.4)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

N-Acetyl-N-[(2S)-3-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propyl]-2-methoxybenzamide

Formula: C33H43N5O4 (573.3315)
Adducts: [M]+ (Ppm: 1.2)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

N-Acetyl-N-[(2S)-3-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propyl]-2-methoxybenzamide

Formula: C33H43N5O4 (573.3315)
Adducts: [M]+ (Ppm: 1)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description