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 20 Reference Ions Near m/z 744.5583
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043333 Reliable 744.5566 744.5564 ~ 744.557
MzDiff: 2.7 ppm
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257)
Formula: C41H78NO8P (743.5465)
15.61 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057878 Reliable 744.5555 744.5552 ~ 744.556
MzDiff: 3.1 ppm
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257)
Formula: C41H78NO8P (743.5465)
17.13 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056886 Unreliable 744.5554 744.5553 ~ 744.5557
MzDiff: 1.9 ppm
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257)
Formula: C41H78NO8P (743.5465)
1.82 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000007121 Unreliable 744.555 744.5549 ~ 744.555
MzDiff: 0.2 ppm
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257)
Formula: C41H78NO8P (743.5465)
3.83 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000008245 Unreliable 744.555 744.5549 ~ 744.555
MzDiff: 0.2 ppm
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257)
Formula: C41H78NO8P (743.5465)
4.76 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000043442 Unreliable 744.5574 744.5573 ~ 744.5574
MzDiff: 0.4 ppm
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257)
Formula: C41H78NO8P (743.5465)
2.79 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043500 Unreliable 744.5574 744.5573 ~ 744.5574
MzDiff: 0.4 ppm
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257)
Formula: C41H78NO8P (743.5465)
2.79 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046994 Unreliable 744.5666 744.5666 ~ 744.5666
MzDiff: none
SM(d18:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000215475)
Formula: C41H81N2O7P (744.5781)
3.04 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047034 Unreliable 744.553 744.553 ~ 744.553
MzDiff: none
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257)
Formula: C41H78NO8P (743.5465)
2.95 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047054 Unreliable 744.5598 744.5598 ~ 744.5598
MzDiff: none
PE(P-18:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000031982)
Formula: C45H82NO7P (779.5829)
2.91 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051672 Unreliable 744.5561 744.5561 ~ 744.5561
MzDiff: none
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257)
Formula: C41H78NO8P (743.5465)
2.68 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000051690 Unreliable 744.5629 744.5629 ~ 744.5629
MzDiff: none
SM(d18:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000215475)
Formula: C41H81N2O7P (744.5781)
2.61 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000051698 Unreliable 744.5493 744.5493 ~ 744.5493
MzDiff: none
SM(d17:2(4E,8Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000215422)
Formula: C40H77N2O8P (744.5417)
2.59 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065392 Unreliable 744.5548 744.5548 ~ 744.555
MzDiff: 0.7 ppm
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257)
Formula: C41H78NO8P (743.5465)
2.75 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000056761 Unreliable 744.5534 744.5532 ~ 744.5535
MzDiff: 1.1 ppm
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257)
Formula: C41H78NO8P (743.5465)
2.64 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000001203 Unavailable 744.55 744.55 ~ 744.55
MzDiff: none
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257)
Formula: C41H78NO8P (743.5465)
-0.48 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001656 Unavailable 744.55 744.55 ~ 744.55
MzDiff: none
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257)
Formula: C41H78NO8P (743.5465)
-0.48 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000002118 Unavailable 744.55 744.55 ~ 744.55
MzDiff: none
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257)
Formula: C41H78NO8P (743.5465)
-0.48 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney
MSI_000026659 Unreliable 744.5495 744.5495 ~ 744.5495
MzDiff: none
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257)
Formula: C41H78NO8P (743.5465)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000055915 Unavailable 744.5574 744.5574 ~ 744.5574
MzDiff: none
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257)
Formula: C41H78NO8P (743.5465)
-0.34 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 35 Sample Hits
Metabolite Species Sample
PE(P-18:0/22:4(7Z,10Z,13Z,16Z))

Formula: C45H82NO7P (779.5829)
Adducts: [M+H-2H2O]+ (Ppm: 19.3)
Mus musculus (Lung)
image1
Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol

Formula: C41H74O10 (726.5282)
Adducts: [M+NH4]+ (Ppm: 11.4)
Mus musculus (Lung)
image3
Resolution: 40μm, 146x190

Description

Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). Ion images of (A) m/z 796.6856 ([U13C-DPPC+Na]+), (B) m/z 756.5154 [PC32:0+Na]+), and (C) m/z 765.6079 ([D9-PC32:0+Na]+). D: Overlay image of [U13C-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 3.8)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 2.6)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 1.1)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 4.8)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 2.2)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

PE(P-18:0/22:4(7Z,10Z,13Z,16Z))

Formula: C45H82NO7P (779.5829)
Adducts: [M+H-2H2O]+ (Ppm: 12.1)
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).

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 3.2)
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(P-18:0/22:4(7Z,10Z,13Z,16Z))

Formula: C45H82NO7P (779.5829)
Adducts: [M+H-2H2O]+ (Ppm: 14.4)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 2.1)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 4)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 4.9)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 3.6)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 1.9)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 3.8)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 2.1)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 2.5)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 2.3)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 3)
Homo sapiens (esophagus)
LNTO30_8M_4
Resolution: 75μm, 62x48

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 2.8)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 2.6)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 4.4)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 4)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 3.6)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 3.6)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 4.4)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 3.8)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 2.1)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 2.6)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 2.3)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 2.5)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 1.4)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 2.2)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description

PE(18:0/18:2(9Z,12Z))

Formula: C41H78NO8P (743.5465)
Adducts: [M+H]+ (Ppm: 0.2)
Drosophila melanogaster (brain)
Drosophila18
Resolution: 5μm, 686x685

Description

Sample information Organism: Drosophila melanogaster Organism part: Brain Condition: Healthy Sample preparation Sample stabilisation: Frozen Tissue modification: Frozen MALDI matrix: 2,5-dihydroxybenzoic acid (DHB) MALDI matrix application: TM sprayer Solvent: Aceton/water MS analysis Polarity: Positive Ionisation source: Prototype Analyzer: Orbitrap Pixel size: 5μm × 5μm Annotation settings m/z tolerance (ppm): 3 Analysis version: Original MSM Pixel count: 469910 Imzml file size: 696.23 MB Ibd file size: 814.11 MB