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 7 Reference Ions Near m/z 555.0461
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000053686 Unreliable 555.0536 555.0531 ~ 555.0539
MzDiff: 3.0 ppm
(6r,7r)-7-{[(2z)-1-hydroxy-2-(2-imino-3h-1,3-thiazol-4-yl)-2-(methoxyimino)ethylidene]amino}-3-{[(2-methyl-5,6-dioxo-1h-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (BioDeep_00002285314)
Formula: C18H18N8O7S3 (554.0461)
5.64 (80%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000010198 Unavailable 555.0536 555.0536 ~ 555.0536
MzDiff: none
Ceftriaxone (BioDeep_00000001930)
Formula: C18H18N8O7S3 (554.0461)
-0.5 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000012769 Unavailable 555.0536 555.0536 ~ 555.0536
MzDiff: none
Ceftriaxone (BioDeep_00000001930)
Formula: C18H18N8O7S3 (554.0461)
-0.45 (100%) Plant
[PO:0005020] vascular bundle
MSI_000014165 Unavailable 555.0536 555.0536 ~ 555.0536
MzDiff: none
Ceftriaxone (BioDeep_00000001930)
Formula: C18H18N8O7S3 (554.0461)
-0.36 (100%) Plant
[PO:0005417] phloem
MSI_000014879 Unavailable 555.0536 555.0536 ~ 555.0536
MzDiff: none
Ceftriaxone (BioDeep_00000001930)
Formula: C18H18N8O7S3 (554.0461)
-0.48 (100%) Plant
[PO:0006036] root epidermis
MSI_000018258 Unreliable 555.0536 555.0536 ~ 555.0536
MzDiff: none
Ceftriaxone (BioDeep_00000001930)
Formula: C18H18N8O7S3 (554.0461)
1.79 (100%) Plant
[PO:0020124] root stele
MSI_000019927 Unavailable 555.0536 555.0536 ~ 555.0536
MzDiff: none
Ceftriaxone (BioDeep_00000001930)
Formula: C18H18N8O7S3 (554.0461)
-0.49 (100%) Plant
[PO:0025197] stele

Found 5 Sample Hits
Metabolite Species Sample
2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-[(4-nitrophenyl)azo]-6-(phenylazo)-

Formula: C22H16N6O9S2 (572.042)
Adducts: [M+H-H2O]+ (Ppm: 13.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-[(4-nitrophenyl)azo]-6-(phenylazo)-

Formula: C22H16N6O9S2 (572.042)
Adducts: [M+H-H2O]+ (Ppm: 13.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-[(4-nitrophenyl)azo]-6-(phenylazo)-

Formula: C22H16N6O9S2 (572.042)
Adducts: [M+H-H2O]+ (Ppm: 13.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

Ceftriaxone

Formula: C18H18N8O7S3 (554.0461)
Adducts: [M+H]+ (Ppm: 2.2)
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.

Ceftriaxone

Formula: C18H18N8O7S3 (554.0461)
Adducts: [M+H]+ (Ppm: 1.9)
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.