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 13 Reference Ions Near m/z 827.5541
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000007267 Reliable 827.5555 827.5551 ~ 827.5559
MzDiff: 3.3 ppm
PA(22:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000190616)
Formula: C45H79O11P (826.536)
3.65 (56%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000021265 Reliable 827.5555 827.5551 ~ 827.5559
MzDiff: 3.3 ppm
PI(18:1/18:1) (BioDeep_00000031028)
Formula: C45H83O13P (862.5571)
5.03 (57%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000020986 Unreliable 827.5619 827.5618 ~ 827.5619
MzDiff: 0.5 ppm
Pyropheophytin b (BioDeep_00000034640)
Formula: C53H70N4O4 (826.5397)
2.49 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000020945 Unreliable 827.5479 827.5479 ~ 827.5479
MzDiff: none
PE(20:4(5Z,8Z,11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000187410)
Formula: C47H74NO9P (827.5101)
2.95 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000008983 Unreliable 827.5487 827.5487 ~ 827.5487
MzDiff: none
Not Annotated 3.17 (0%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009041 Unreliable 827.5576 827.5576 ~ 827.5576
MzDiff: none
PI(18:1/18:1) (BioDeep_00000031028)
Formula: C45H83O13P (862.5571)
3.13 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000044266 Unreliable 827.5479 827.5479 ~ 827.5479
MzDiff: none
Not Annotated 0.42 (0%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000000751 Unavailable 827.5487 827.5487 ~ 827.5487
MzDiff: none
Not Annotated -0.58 (0%) Mus musculus
[CL:0000066] epithelial cell
MSI_000029425 Unreliable 827.5493 827.5493 ~ 827.5493
MzDiff: none
PE(20:4(5Z,8Z,11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000187410)
Formula: C47H74NO9P (827.5101)
0.94 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000000795 Unavailable 827.5576 827.5576 ~ 827.5576
MzDiff: none
PI(18:1/18:1) (BioDeep_00000031028)
Formula: C45H83O13P (862.5571)
-0.6 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000044268 Unreliable 827.559 827.559 ~ 827.559
MzDiff: none
Not Annotated 0.41 (0%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000028757 Unreliable 827.5594 827.5594 ~ 827.5594
MzDiff: none
PI(18:1/18:1) (BioDeep_00000031028)
Formula: C45H83O13P (862.5571)
0.42 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029245 Unreliable 827.5594 827.5594 ~ 827.5594
MzDiff: none
PI(18:1/18:1) (BioDeep_00000031028)
Formula: C45H83O13P (862.5571)
1.5 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum

Found 14 Sample Hits
Metabolite Species Sample
PI(18:1/18:1)

Formula: C45H83O13P (862.5571)
Adducts: [M+H-2H2O]+ (Ppm: 17.3)
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.

PC(18:3/22:6)

Formula: C48H78NO8P (827.5465)
Adducts: [M-H2O+NH4]+ (Ppm: 6.2)
Mus musculus (Kidney)
FULL_MS_centriod_CHCA_20210819
Resolution: 17μm, 638x437

Description

AP-MALDI instrument demo test, mass spectrum scan in centroid mode.

PA(22:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H79O11P (826.536)
Adducts: [M+H]+ (Ppm: 16.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

PA(22:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H79O11P (826.536)
Adducts: [M+H]+ (Ppm: 15)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

Pyropheophytin b

Formula: C53H70N4O4 (826.5397)
Adducts: [M+H]+ (Ppm: 18.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

PI(18:1/18:1)

Formula: C45H83O13P (862.5571)
Adducts: [M+H-2H2O]+ (Ppm: 14.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

PI(18:1/18:1)

Formula: C45H83O13P (862.5571)
Adducts: [M+H-2H2O]+ (Ppm: 14.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

PA(22:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H79O11P (826.536)
Adducts: [M+H]+ (Ppm: 14.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

PI(18:1/18:1)

Formula: C45H83O13P (862.5571)
Adducts: [M+H-2H2O]+ (Ppm: 14.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

PA(22:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H79O11P (826.536)
Adducts: [M+H]+ (Ppm: 15)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

PA(22:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H79O11P (826.536)
Adducts: [M+H]+ (Ppm: 14.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

PA(22:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H79O11P (826.536)
Adducts: [M+H]+ (Ppm: 15.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

PI(18:1/18:1)

Formula: C45H83O13P (862.5571)
Adducts: [M+H-2H2O]+ (Ppm: 19.5)
Macropus giganteus (Brain)
170321_kangaroobrain-dan3-pos_maxof50.0_med1
Resolution: 50μm, 81x50

Description

Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild

PI(18:1/18:1)

Formula: C45H83O13P (862.5571)
Adducts: [M+H-2H2O]+ (Ppm: 13.1)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description