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 19 Reference Ions Near m/z 445.1012
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000053921 Reliable 445.0956 445.0953 ~ 445.0959
MzDiff: 2.8 ppm
2,3-Dehydrosilybin (BioDeep_00000021344)
Formula: C25H20O10 (480.1056)
3.85 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000011123 Unreliable 445.0941 445.0941 ~ 445.0941
MzDiff: none
Cefpodoxime (BioDeep_00000006664)
Formula: C15H17N5O6S2 (427.062)
2 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011148 Unreliable 445.1071 445.1071 ~ 445.1071
MzDiff: none
Rothindin (BioDeep_00000270650)
Formula: C22H20O10 (444.1056)
1.9 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011210 Unreliable 445.1012 445.1012 ~ 445.1012
MzDiff: none
(2-(4-((2-Chloro-4,4-difluoro-spiro(5H-thieno(2,3-C)pyran-7,4'-piperidine)-1'-yl)methyl)-3-methyl-pyrazol-1-yl)-3-pyridyl)methanol (BioDeep_00000171686)
Formula: C22H23ClF2N4O2S (480.1198)
1.77 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000009428 Unavailable 445.0941 445.0941 ~ 445.0941
MzDiff: none
Cefpodoxime (BioDeep_00000006664)
Formula: C15H17N5O6S2 (427.062)
-0.4 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009460 Unavailable 445.1071 445.1071 ~ 445.1071
MzDiff: none
Rothindin (BioDeep_00000270650)
Formula: C22H20O10 (444.1056)
-0.47 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009495 Unavailable 445.1012 445.1012 ~ 445.1012
MzDiff: none
(2-(4-((2-Chloro-4,4-difluoro-spiro(5H-thieno(2,3-C)pyran-7,4'-piperidine)-1'-yl)methyl)-3-methyl-pyrazol-1-yl)-3-pyridyl)methanol (BioDeep_00000171686)
Formula: C22H23ClF2N4O2S (480.1198)
-0.56 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000003966 Unreliable 445.0955 445.0955 ~ 445.0955
MzDiff: none
Cefpodoxime (BioDeep_00000006664)
Formula: C15H17N5O6S2 (427.062)
1.25 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000012713 Unavailable 445.0956 445.0956 ~ 445.0956
MzDiff: none
Cefpodoxime (BioDeep_00000006664)
Formula: C15H17N5O6S2 (427.062)
-0.4 (100%) Plant
[PO:0005020] vascular bundle
MSI_000014186 Unavailable 445.0956 445.0956 ~ 445.0956
MzDiff: none
Cefpodoxime (BioDeep_00000006664)
Formula: C15H17N5O6S2 (427.062)
-0.38 (100%) Plant
[PO:0005417] phloem
MSI_000014960 Unavailable 445.0956 445.0956 ~ 445.0956
MzDiff: none
Cefpodoxime (BioDeep_00000006664)
Formula: C15H17N5O6S2 (427.062)
-0.5 (100%) Plant
[PO:0006036] root epidermis
MSI_000018272 Unreliable 445.0956 445.0956 ~ 445.0956
MzDiff: none
Cefpodoxime (BioDeep_00000006664)
Formula: C15H17N5O6S2 (427.062)
1.79 (100%) Plant
[PO:0020124] root stele
MSI_000019981 Unavailable 445.0956 445.0956 ~ 445.0956
MzDiff: none
Cefpodoxime (BioDeep_00000006664)
Formula: C15H17N5O6S2 (427.062)
-0.5 (100%) Plant
[PO:0025197] stele
MSI_000033477 Unreliable 445.0953 445.0953 ~ 445.0953
MzDiff: none
2,3-Dehydrosilybin (BioDeep_00000021344)
Formula: C25H20O10 (480.1056)
1.95 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000035635 Unavailable 445.0953 445.0953 ~ 445.0953
MzDiff: none
2,3-Dehydrosilybin (BioDeep_00000021344)
Formula: C25H20O10 (480.1056)
-0.21 (100%) Posidonia oceanica
[PO:0006203] pericycle
MSI_000037180 Unreliable 445.0958 445.0958 ~ 445.0958
MzDiff: none
2,3-Dehydrosilybin (BioDeep_00000021344)
Formula: C25H20O10 (480.1056)
2.03 (100%) Posidonia oceanica
[UBERON:0000329] hair root
MSI_000039910 Unreliable 445.0959 445.0959 ~ 445.0959
MzDiff: none
2,3-Dehydrosilybin (BioDeep_00000021344)
Formula: C25H20O10 (480.1056)
0.5 (100%) Posidonia oceanica
[PO:0005417] phloem
MSI_000050388 Unreliable 445.0939 445.0939 ~ 445.0939
MzDiff: none
Cefpodoxime (BioDeep_00000006664)
Formula: C15H17N5O6S2 (427.062)
0 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000051302 Unreliable 445.0939 445.0939 ~ 445.0939
MzDiff: none
Cefpodoxime (BioDeep_00000006664)
Formula: C15H17N5O6S2 (427.062)
0 (100%) Mytilus edulis
[UBERON:2001856] gill ray

Found 5 Sample Hits
Metabolite Species Sample
(2-(4-((2-Chloro-4,4-difluoro-spiro(5H-thieno(2,3-C)pyran-7,4'-piperidine)-1'-yl)methyl)-3-methyl-pyrazol-1-yl)-3-pyridyl)methanol

Formula: C22H23ClF2N4O2S (480.1198)
Adducts: [M+H-2H2O]+ (Ppm: 10.7)
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.

Cefpodoxime

Formula: C15H17N5O6S2 (427.062)
Adducts: [M+NH4]+ (Ppm: 0.8)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

2,3-Dehydrosilybin

Formula: C25H20O10 (480.1056)
Adducts: [M+H-2H2O]+ (Ppm: 9.2)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

Cefpodoxime

Formula: C15H17N5O6S2 (427.062)
Adducts: [M+NH4]+ (Ppm: 4.4)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

Cefepime

Formula: C19H24N6O5S2 (480.125)
Adducts: [M+H-2H2O]+ (Ppm: 17.7)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description