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 30 Reference Ions Near m/z 769.5097
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006358 Reliable 769.5155 769.5153 ~ 769.5156
MzDiff: 1.5 ppm
SM(d16:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000215280)
Formula: C41H73N2O9P (768.5053)
8.41 (73%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000063636 Reliable 769.5044 769.5041 ~ 769.5048
MzDiff: 3.1 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
7.36 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063382 Reliable 769.5044 769.5041 ~ 769.5048
MzDiff: 3.1 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
7.36 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000062993 Reliable 769.5044 769.5041 ~ 769.5048
MzDiff: 3.1 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
7.36 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000062025 Reliable 769.5044 769.5041 ~ 769.5048
MzDiff: 3.1 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
7.36 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058405 Reliable 769.5044 769.5041 ~ 769.5048
MzDiff: 3.1 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
7.36 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058287 Reliable 769.5044 769.5041 ~ 769.5048
MzDiff: 3.1 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
7.36 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000063687 Reliable 769.5044 769.5041 ~ 769.5048
MzDiff: 3.1 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
7.36 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000064776 Reliable 769.5044 769.5041 ~ 769.5048
MzDiff: 3.1 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
7.36 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065071 Reliable 769.5044 769.5041 ~ 769.5048
MzDiff: 3.1 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
7.36 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057869 Reliable 769.5044 769.5041 ~ 769.5048
MzDiff: 3.1 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
5.64 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000021240 Unreliable 769.5076 769.5075 ~ 769.5078
MzDiff: 1.3 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
6.27 (80%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000043216 Unreliable 769.5046 769.5041 ~ 769.5048
MzDiff: 3.1 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
4 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043713 Unreliable 769.5046 769.5041 ~ 769.5048
MzDiff: 3.1 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
4 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000052378 Unreliable 769.5169 769.5169 ~ 769.5169
MzDiff: none
SM(d18:2(4E,14Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000215585)
Formula: C45H77N2O8P (804.5417)
2.12 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052139 Unreliable 769.5097 769.5097 ~ 769.5097
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/14:0) (BioDeep_00000032547)
Formula: C38H73NO11S (751.4904)
2.31 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052164 Unreliable 769.5026 769.5026 ~ 769.5026
MzDiff: none
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
2.29 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000047422 Unreliable 769.5138 769.5138 ~ 769.5138
MzDiff: none
3-O-Sulfogalactosylceramide (d18:1/14:0) (BioDeep_00000032547)
Formula: C38H73NO11S (751.4904)
2.3 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047448 Unreliable 769.5066 769.5066 ~ 769.5066
MzDiff: none
SM(d16:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000215280)
Formula: C41H73N2O9P (768.5053)
2.28 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000056750 Unreliable 769.5004 769.5004 ~ 769.5005
MzDiff: 0.2 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
2.88 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000060523 Unreliable 769.5061 769.506 ~ 769.5062
MzDiff: 0.7 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
1.78 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000062579 Unreliable 769.5085 769.5084 ~ 769.5085
MzDiff: 0.3 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
4.48 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000020537 769.5076 769.5075 ~ 769.5078
MzDiff: 1.3 ppm
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
2.05 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000021638 Unreliable 769.5065 769.5065 ~ 769.5065
MzDiff: none
PS(15:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000104693)
Formula: C41H72NO10P (769.4894)
0.77 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000065436 Unreliable 769.5031 769.5031 ~ 769.5031
MzDiff: none
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
1.97 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000059586 Unreliable 769.5062 769.5062 ~ 769.5062
MzDiff: none
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
1.1 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000056246 Unavailable 769.5048 769.5048 ~ 769.5048
MzDiff: none
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
-0.58 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000061785 Unavailable 769.5085 769.5085 ~ 769.5085
MzDiff: none
PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000031669)
Formula: C42H73O10P (768.4941)
-0.4 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000027156 Unreliable 769.5035 769.5035 ~ 769.5035
MzDiff: none
SM(d16:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000215280)
Formula: C41H73N2O9P (768.5053)
1.77 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000031650 Unreliable 769.5003 769.5003 ~ 769.5003
MzDiff: none
Not Annotated 0.09 (0%) Macropus giganteus
[UBERON:0006093] precuneus cortex

Found 17 Sample Hits
Metabolite Species Sample
SM(d16:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C41H73N2O9P (768.5053)
Adducts: [M+H]+ (Ppm: 7.3)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C42H73O10P (768.4941)
Adducts: [M+H]+ (Ppm: 8.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

SM(d16:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C41H73N2O9P (768.5053)
Adducts: [M+H]+ (Ppm: 6.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

SM(d16:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C41H73N2O9P (768.5053)
Adducts: [M+H]+ (Ppm: 12.4)
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

PS(15:0/20:4(5Z,8Z,11Z,14Z))

Formula: C41H72NO10P (769.4894)
Adducts: [M-H2O+NH4]+ (Ppm: 8)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

SM(d16:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C41H73N2O9P (768.5053)
Adducts: [M+H]+ (Ppm: 11.8)
Mus musculus (Lung)
image4
Resolution: 40μm, 162x156

Description

Fig 6c Fig. 6 MALDI-MSI of U13C-PC16:0/16:0 acyl chain remodeling. A: Averaged MALDI mass spectrum from lung tissue collected from mice euthanized 12 h after administration of D9-choline and U13C-DPPC–containing Poractant alfa surfactant. The ion at m/z 828.6321 is assigned as the [M+Na]+ ion of 13C24-PC16:0_20:4 formed by acyl remodeling of U13C-PC16:0/16:0. The “NL” value refers to the intensity of the base peak in the full range MS1 spectrum. B: MS/MS spectrum of precursor ions at m/z 828.5 ± 0.5 with fragment ions originating from [13C24-PC16:0_20:4+Na]+ annotated. Part-per-million (ppm) mass errors are provided in parentheses. C, D: MALDI-MSI data of [U13C-DPPC+Na]+ (blue), [PC36:4+Na]+ (green) and [13C24-PC16:0_20:4+Na]+ (red) in lung tissue collected from mice (C) 12 h and (D) 18 h after label administration. All images were visualized using total-ion-current normalization and hotspot removal (high quantile = 99%). MS/MS, tandem mass spectrometry; MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

SM(d16:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C41H73N2O9P (768.5053)
Adducts: [M+H]+ (Ppm: 0.8)
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

SM(d16:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C41H73N2O9P (768.5053)
Adducts: [M+H]+ (Ppm: 7.8)
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).

3-O-Sulfogalactosylceramide (d18:1/14:0)

Formula: C38H73NO11S (751.4904)
Adducts: [M+NH4]+ (Ppm: 13.6)
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).

SM(d16:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C41H73N2O9P (768.5053)
Adducts: [M+H]+ (Ppm: 7.6)
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).

3-O-Sulfogalactosylceramide (d18:1/14:0)

Formula: C38H73NO11S (751.4904)
Adducts: [M+NH4]+ (Ppm: 18.9)
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).

SM(d16:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C41H73N2O9P (768.5053)
Adducts: [M+H]+ (Ppm: 5.1)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C42H73O10P (768.4941)
Adducts: [M+H]+ (Ppm: 9.2)
Mus musculus (brain)
Brain01_Bregma1-42_02_centroid
Resolution: 17μm, 434x258

Description

PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C42H73O10P (768.4941)
Adducts: [M+H]+ (Ppm: 9.1)
Mus musculus (brain)
Brain01_Bregma1-42_01_centroid
Resolution: 17μm, 447x118

Description

PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C42H73O10P (768.4941)
Adducts: [M+H]+ (Ppm: 5.6)
Mus musculus (brain)
Brain02_Bregma-3-88
Resolution: 17μm, 288x282

Description

PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C42H73O10P (768.4941)
Adducts: [M+H]+ (Ppm: 5.9)
Mus musculus (brain)
Brain02_Bregma-1-46
Resolution: 17μm, 294x399

Description

PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C42H73O10P (768.4941)
Adducts: [M+H]+ (Ppm: 1.2)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description