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 820.5589
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000058140 Reliable 820.5533 820.5532 ~ 820.5536
MzDiff: 1.6 ppm
PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211071)
Formula: C46H78NO9P (819.5414)
5.98 (67%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043109 Reliable 820.5642 820.564 ~ 820.5645
MzDiff: 1.8 ppm
PE(18:0/PGF1alpha) (BioDeep_00000186182)
Formula: C43H82NO11P (819.5625)
6.68 (88%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000055503 Reliable 820.5544 820.5541 ~ 820.5548
MzDiff: 3.1 ppm
PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211071)
Formula: C46H78NO9P (819.5414)
5.75 (62%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047284 Unreliable 820.5521 820.5521 ~ 820.5521
MzDiff: none
Not Annotated 2.43 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047330 Unreliable 820.5644 820.5644 ~ 820.5644
MzDiff: none
PE(18:0/PGF1alpha) (BioDeep_00000186182)
Formula: C43H82NO11P (819.5625)
2.38 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047462 Unreliable 820.5577 820.5577 ~ 820.5577
MzDiff: none
PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211071)
Formula: C46H78NO9P (819.5414)
2.28 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051945 Unreliable 820.554 820.554 ~ 820.554
MzDiff: none
PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000210887)
Formula: C44H80NO9P (797.557)
2.37 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052107 Unreliable 820.5637 820.5637 ~ 820.5637
MzDiff: none
PE(18:0/PGF1alpha) (BioDeep_00000186182)
Formula: C43H82NO11P (819.5625)
2.32 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000009204 Unreliable 820.5514 820.5514 ~ 820.5514
MzDiff: none
PC(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000029647)
Formula: C50H82NO8P (855.5778)
2.94 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009206 Unreliable 820.5602 820.5602 ~ 820.5602
MzDiff: none
PE(18:0/PGF1alpha) (BioDeep_00000186182)
Formula: C43H82NO11P (819.5625)
2.93 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000043661 Unreliable 820.5656 820.5656 ~ 820.5656
MzDiff: none
PE(18:0/PGF1alpha) (BioDeep_00000186182)
Formula: C43H82NO11P (819.5625)
1.38 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065397 Unreliable 820.5631 820.5631 ~ 820.5631
MzDiff: none
PE(18:0/PGF1alpha) (BioDeep_00000186182)
Formula: C43H82NO11P (819.5625)
2.01 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000000422 Unavailable 820.5514 820.5514 ~ 820.5514
MzDiff: none
PC(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000029647)
Formula: C50H82NO8P (855.5778)
-0.02 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000449 Unavailable 820.5602 820.5602 ~ 820.5602
MzDiff: none
PE(18:0/PGF1alpha) (BioDeep_00000186182)
Formula: C43H82NO11P (819.5625)
-0.13 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000044293 Unreliable 820.5527 820.5527 ~ 820.5527
MzDiff: none
PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211071)
Formula: C46H78NO9P (819.5414)
0.27 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000055752 Unreliable 820.5633 820.5633 ~ 820.5633
MzDiff: none
Not Annotated 0.35 (0%) Homo sapiens
[UBERON:0007779] transudate
MSI_000056211 Unavailable 820.5543 820.5543 ~ 820.5543
MzDiff: none
PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211071)
Formula: C46H78NO9P (819.5414)
-0.57 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000056783 Unreliable 820.5518 820.5518 ~ 820.5518
MzDiff: none
PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211071)
Formula: C46H78NO9P (819.5414)
2.03 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056912 Unreliable 820.5611 820.5611 ~ 820.5611
MzDiff: none
PE(18:0/PGF1alpha) (BioDeep_00000186182)
Formula: C43H82NO11P (819.5625)
1.64 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 26 Sample Hits
Metabolite Species Sample
PE(18:0/PGF1alpha)

Formula: C43H82NO11P (819.5625)
Adducts: [M+H]+ (Ppm: 11.7)
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.

PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H78NO9P (819.5414)
Adducts: [M+H]+ (Ppm: 5.5)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PE(18:0/PGF1alpha)

Formula: C43H82NO11P (819.5625)
Adducts: [M+H]+ (Ppm: 11.3)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PE(18:0/PGF1alpha)

Formula: C43H82NO11P (819.5625)
Adducts: [M+H]+ (Ppm: 7.9)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H78NO9P (819.5414)
Adducts: [M+H]+ (Ppm: 11)
Homo sapiens (colorectal adenocarcinoma)
80TopL, 50TopR, 70BottomL, 60BottomR-profile
Resolution: 17μm, 137x136

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).

PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H78NO9P (819.5414)
Adducts: [M+H]+ (Ppm: 9.8)
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).

PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H80NO9P (797.557)
Adducts: [M+Na]+ (Ppm: 9.4)
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).

PE(18:0/PGF1alpha)

Formula: C43H82NO11P (819.5625)
Adducts: [M+H]+ (Ppm: 7.4)
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).

PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H78NO9P (819.5414)
Adducts: [M+H]+ (Ppm: 12.5)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PE(18:0/PGF1alpha)

Formula: C43H82NO11P (819.5625)
Adducts: [M+H]+ (Ppm: 10.6)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

PE(18:0/PGF1alpha)

Formula: C43H82NO11P (819.5625)
Adducts: [M+H]+ (Ppm: 7.8)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H78NO9P (819.5414)
Adducts: [M+H]+ (Ppm: 6.9)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PE(18:0/PGF1alpha)

Formula: C43H82NO11P (819.5625)
Adducts: [M+H]+ (Ppm: 7.7)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H80NO9P (797.557)
Adducts: [M+Na]+ (Ppm: 12.7)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

m/z_820.5596

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PE(18:0/PGF1alpha)

Formula: C43H82NO11P (819.5625)
Adducts: [M+H]+ (Ppm: 6.5)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PE(18:0/PGF1alpha)

Formula: C43H82NO11P (819.5625)
Adducts: [M+H]+ (Ppm: 7.1)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

m/z_820.5584

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H78NO9P (819.5414)
Adducts: [M+H]+ (Ppm: 6.6)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H78NO9P (819.5414)
Adducts: [M+H]+ (Ppm: 7.1)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PE(18:0/PGF1alpha)

Formula: C43H82NO11P (819.5625)
Adducts: [M+H]+ (Ppm: 8.9)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

PE(18:0/PGF1alpha)

Formula: C43H82NO11P (819.5625)
Adducts: [M+H]+ (Ppm: 8.8)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

PE(18:0/PGF1alpha)

Formula: C43H82NO11P (819.5625)
Adducts: [M+H]+ (Ppm: 9.1)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PE(18:0/PGF1alpha)

Formula: C43H82NO11P (819.5625)
Adducts: [M+H]+ (Ppm: 8.2)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PE(18:0/PGF1alpha)

Formula: C43H82NO11P (819.5625)
Adducts: [M+H]+ (Ppm: 9.1)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PE(18:0/PGF1alpha)

Formula: C43H82NO11P (819.5625)
Adducts: [M+H]+ (Ppm: 8.6)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description