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 16 Reference Ions Near m/z 725.5326
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_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_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_000047257 Unreliable 725.5247 725.5247 ~ 725.5247
MzDiff: none
Not Annotated 2.47 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
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_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_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_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
MSI_000027851 Unreliable 725.5265 725.5265 ~ 725.5265
MzDiff: none
PE(18:2(9Z,12Z)/P-18:1(9Z)) (BioDeep_00000030329)
Formula: C41H76NO7P (725.5359)
2.03 (100%) Mus musculus
[UBERON:0002048] lung

Found 36 Sample Hits
Metabolite Species Sample
m/z_725.5321

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.

m/z_725.542

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

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

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 2.3)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 6.6)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

SM(d17:2(4E,8Z)/18:2(10E,12Z)+=O(9))

Formula: C40H73N2O7P (724.5155)
Adducts: [M+H]+ (Ppm: 13.5)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 5.2)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 1.3)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 4.5)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 5.7)
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).

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 0.9)
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).

SM(d17:2(4E,8Z)/18:2(10E,12Z)+=O(9))

Formula: C40H73N2O7P (724.5155)
Adducts: [M+H]+ (Ppm: 11.5)
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).

m/z_725.5301

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 3.9)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 2.3)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 2.7)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 4.5)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 2.3)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 4.2)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 3.9)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 4.1)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 3.8)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 3.5)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 1.3)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 2)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 2.6)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 2.3)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 1.3)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 2.3)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 3.9)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 3.1)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 3.9)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 4.5)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 3.8)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 4.8)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

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

Formula: C41H76NO7P (725.5359)
Adducts: [M]+ (Ppm: 4.1)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description