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 22 Reference Ions Near m/z 725.5391
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043594 Reliable 725.5336 725.5331 ~ 725.5339
MzDiff: 3.6 ppm
PE(18:2(9Z,12Z)/P-18:1(9Z)) (BioDeep_00000030329)
Formula: C41H76NO7P (725.5359)
11.75 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043246 Reliable 725.5325 725.5321 ~ 725.5328
MzDiff: 2.8 ppm
PE(18:2(9Z,12Z)/P-18:1(9Z)) (BioDeep_00000030329)
Formula: C41H76NO7P (725.5359)
10.22 (93%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000020857 Reliable 725.5466 725.5464 ~ 725.5468
MzDiff: 1.3 ppm
PE(18:2(9Z,12Z)/P-18:1(9Z)) (BioDeep_00000030329)
Formula: C41H76NO7P (725.5359)
5.31 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000006499 Reliable 725.5404 725.5402 ~ 725.5405
MzDiff: 1.4 ppm
Not Annotated 4.98 (0%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000056846 Reliable 725.5325 725.5321 ~ 725.5326
MzDiff: 2.1 ppm
PE(18:2(9Z,12Z)/P-18:1(9Z)) (BioDeep_00000030329)
Formula: C41H76NO7P (725.5359)
1.64 (83%) Homo sapiens
[UBERON:0007779] transudate
MSI_000065344 Unreliable 725.5324 725.5321 ~ 725.5326
MzDiff: 2.1 ppm
PE(18:2(9Z,12Z)/P-18:1(9Z)) (BioDeep_00000030329)
Formula: C41H76NO7P (725.5359)
3.62 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000011379 Unreliable 725.5464 725.5464 ~ 725.5464
MzDiff: none
PE(18:2(9Z,12Z)/P-18:1(9Z)) (BioDeep_00000030329)
Formula: C41H76NO7P (725.5359)
0.66 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011382 Unreliable 725.5391 725.5391 ~ 725.5391
MzDiff: none
Not Annotated 0.63 (0%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011415 Unreliable 725.5321 725.5321 ~ 725.5321
MzDiff: none
Not Annotated 0.47 (0%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000047457 Unreliable 725.5378 725.5378 ~ 725.5378
MzDiff: none
CE(PGJ2) (BioDeep_00000215213)
Formula: C47H74O4 (702.5587)
2.28 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047459 Unreliable 725.5441 725.5441 ~ 725.5441
MzDiff: none
DG(19:0/6 keto-PGF1alpha/0:0) (BioDeep_00000221074)
Formula: C42H76O9 (724.5489)
2.28 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047540 Unreliable 725.5312 725.5312 ~ 725.5312
MzDiff: none
PE(18:2(9Z,12Z)/P-18:1(9Z)) (BioDeep_00000030329)
Formula: C41H76NO7P (725.5359)
2.24 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052100 Unreliable 725.5311 725.5311 ~ 725.5311
MzDiff: none
SM(d17:2(4E,8Z)/18:2(10E,12Z)+=O(9)) (BioDeep_00000215420)
Formula: C40H73N2O7P (724.5155)
2.32 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052134 Unreliable 725.5377 725.5377 ~ 725.5377
MzDiff: none
CE(PGJ2) (BioDeep_00000215213)
Formula: C47H74O4 (702.5587)
2.31 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052332 Unreliable 725.5443 725.5443 ~ 725.5443
MzDiff: none
Not Annotated 2.18 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000000076 Unreliable 725.5321 725.5321 ~ 725.5321
MzDiff: none
Not Annotated 2.1 (0%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000104 Unreliable 725.5391 725.5391 ~ 725.5391
MzDiff: none
Not Annotated 2.03 (0%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000110 Unreliable 725.5464 725.5464 ~ 725.5464
MzDiff: none
PE(18:2(9Z,12Z)/P-18:1(9Z)) (BioDeep_00000030329)
Formula: C41H76NO7P (725.5359)
2.01 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000001455 Unavailable 725.5471 725.5471 ~ 725.5471
MzDiff: none
DCAE 25:7 (BioDeep_00002051846)
Formula: C49H74O5 (742.5536)
-0.95 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001913 Unavailable 725.5471 725.5471 ~ 725.5471
MzDiff: none
DCAE 25:7 (BioDeep_00002051846)
Formula: C49H74O5 (742.5536)
-0.87 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000001944 Unreliable 725.5471 725.5471 ~ 725.5471
MzDiff: none
DCAE 25:7 (BioDeep_00002051846)
Formula: C49H74O5 (742.5536)
0.22 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney
MSI_000007720 725.5426 725.5426 ~ 725.5426
MzDiff: none
PE(18:2(9Z,12Z)/P-18:1(9Z)) (BioDeep_00000030329)
Formula: C41H76NO7P (725.5359)
1.5 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis

Found 17 Sample Hits
Metabolite Species Sample
m/z_725.5391

Formula: - (n/a)
Adducts: (Ppm: 0)
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.

DCAE 25:7

Formula: C49H74O5 (742.5536)
Adducts: [M+H-H2O]+ (Ppm: 4.4)
Mus musculus (Kidney)
FULL_MS_centriod_CHCA_20210819
Resolution: 17μm, 638x437

Description

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

PE(18:2(9Z,12Z)/P-18:1(9Z))

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 14.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

m/z_725.5405

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

m/z_725.5402

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

Description

PE(18:2(9Z,12Z)/P-18:1(9Z))

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

PE(18:2(9Z,12Z)/P-18:1(9Z))

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 14)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

m/z_725.5398

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

PE(18:2(9Z,12Z)/P-18:1(9Z))

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 8.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

m/z_725.542

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

PE(18:2(9Z,12Z)/P-18:1(9Z))

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 9.1)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

DG(20:0/PGJ2/0:0)

Formula: C43H74O7 (702.5434)
Adducts: [M+Na]+ (Ppm: 13.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

m/z_725.5407

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

CE(PGJ2)

Formula: C47H74O4 (702.5587)
Adducts: [M+Na]+ (Ppm: 13.9)
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).

DG(19:0/6 keto-PGF1alpha/0:0)

Formula: C42H76O9 (724.5489)
Adducts: [M+H]+ (Ppm: 16.7)
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).

CE(PGJ2)

Formula: C47H74O4 (702.5587)
Adducts: [M+Na]+ (Ppm: 14.1)
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(18:2(9Z,12Z)/P-18:1(9Z))

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 0.7)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description