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 11 Reference Ions Near m/z 560.3245
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000008767 Unreliable 560.3204 560.3201 ~ 560.321
MzDiff: 3.4 ppm
Dihydroergocryptine (BioDeep_00000178298)
Formula: C32H43N5O5 (577.3264)
7.23 (75%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000010047 Unreliable 560.3333 560.3333 ~ 560.3334
MzDiff: 0.3 ppm
Dihydroergocryptine (BioDeep_00000178298)
Formula: C32H43N5O5 (577.3264)
0.59 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000054902 Unreliable 560.3327 560.3324 ~ 560.3329
MzDiff: 2.1 ppm
Paludosine (BioDeep_00000007994)
Formula: C31H45NO8 (559.3145)
1.66 (67%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000008588 Unreliable 560.3218 560.3218 ~ 560.3219
MzDiff: 0.7 ppm
1-acyl-PAF (BioDeep_00000172140)
Formula: C26H52NO8P (537.343)
4.19 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000008886 Unreliable 560.3215 560.3215 ~ 560.3215
MzDiff: none
Dihydroergocryptine (BioDeep_00000178298)
Formula: C32H43N5O5 (577.3264)
3.22 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000008969 Unreliable 560.3292 560.3292 ~ 560.3292
MzDiff: none
11-benzyl-3,12-dihydroxy-5-isopropyl-10-methyl-2,8-bis(2-methylpropyl)-1,7-dioxa-4,10,13-triazacyclohexadeca-3,12-diene-6,9,16-trione (BioDeep_00002129625)
Formula: C30H45N3O7 (559.3257)
3.18 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000011793 Unreliable 560.3333 560.3333 ~ 560.3333
MzDiff: 0.0 ppm
Dihydroergocryptine (BioDeep_00000178298)
Formula: C32H43N5O5 (577.3264)
1.35 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000020499 560.3199 560.3198 ~ 560.32
MzDiff: 0.8 ppm
Dihydroergocryptine (BioDeep_00000178298)
Formula: C32H43N5O5 (577.3264)
2.25 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000000772 Unavailable 560.3215 560.3215 ~ 560.3215
MzDiff: none
Dihydroergocryptine (BioDeep_00000178298)
Formula: C32H43N5O5 (577.3264)
-0.59 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000774 Unavailable 560.3292 560.3292 ~ 560.3292
MzDiff: none
11-benzyl-3,12-dihydroxy-5-isopropyl-10-methyl-2,8-bis(2-methylpropyl)-1,7-dioxa-4,10,13-triazacyclohexadeca-3,12-diene-6,9,16-trione (BioDeep_00002129625)
Formula: C30H45N3O7 (559.3257)
-0.59 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000057632 Unreliable 560.3189 560.3189 ~ 560.3189
MzDiff: none
Chaetoglobosin N (BioDeep_00000034050)
Formula: C33H38N2O5 (542.2781)
0.74 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 13 Sample Hits
Metabolite Species Sample
Dihydroergocryptine

Formula: C32H43N5O5 (577.3264)
Adducts: [M+H-H2O]+ (Ppm: 2.9)
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.

1-acyl-PAF

Formula: C26H52NO8P (537.343)
Adducts: [M+Na]+ (Ppm: 18.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

Dihydroergocryptine

Formula: C32H43N5O5 (577.3264)
Adducts: [M+H-H2O]+ (Ppm: 5.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

m/z_560.321

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

Dihydroergocryptine

Formula: C32H43N5O5 (577.3264)
Adducts: [M+H-H2O]+ (Ppm: 5.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

Dihydroergocryptine

Formula: C32H43N5O5 (577.3264)
Adducts: [M+H-H2O]+ (Ppm: 5.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

1-acyl-PAF

Formula: C26H52NO8P (537.343)
Adducts: [M+Na]+ (Ppm: 18.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

PC(2:0/18:1(12Z)-2OH(9,10))

Formula: C28H54NO10P (595.3485)
Adducts: [M+H-2H2O]+ (Ppm: 18.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

Dihydroergocryptine

Formula: C32H43N5O5 (577.3264)
Adducts: [M+H-H2O]+ (Ppm: 5.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

Dihydroergocryptine

Formula: C32H43N5O5 (577.3264)
Adducts: [M+H-H2O]+ (Ppm: 5.4)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

Dihydroergocryptine

Formula: C32H43N5O5 (577.3264)
Adducts: [M+H-H2O]+ (Ppm: 6.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

PC(2:0/18:1(12Z)-2OH(9,10))

Formula: C28H54NO10P (595.3485)
Adducts: [M+H-2H2O]+ (Ppm: 18.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

Dihydroergocryptine

Formula: C32H43N5O5 (577.3264)
Adducts: [M+H-H2O]+ (Ppm: 2.9)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description