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 13 Reference Ions Near m/z 739.5027
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000058290 Reliable 739.5126 739.512 ~ 739.5129
MzDiff: 3.6 ppm
PE(16:0/20:4) (BioDeep_00000030184)
Formula: C41H74NO8P (739.5152)
9.31 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047812 Unreliable 739.5095 739.5095 ~ 739.5095
MzDiff: none
PA(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107471)
Formula: C45H75O8P (774.5199)
2.08 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051921 Unreliable 739.5026 739.5026 ~ 739.5026
MzDiff: none
PE-NMe(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000105365)
Formula: C40H68NO8P (721.4682)
2.38 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000008902 Unreliable 739.4933 739.4933 ~ 739.4933
MzDiff: none
(2e,4s,7r)-7-hydroxy-8-[(2s,4r,5r,7s,9r,10r)-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-9-(methoxymethyl)-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,4-dimethyloct-2-enoic acid (BioDeep_00002079285)
Formula: C41H70O11 (738.4918)
3.21 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000065427 Unreliable 739.5121 739.5121 ~ 739.5121
MzDiff: none
PE(16:0/20:4) (BioDeep_00000030184)
Formula: C41H74NO8P (739.5152)
2.13 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000000807 Unavailable 739.4933 739.4933 ~ 739.4933
MzDiff: none
(2e,4s,7r)-7-hydroxy-8-[(2s,4r,5r,7s,9r,10r)-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-9-(methoxymethyl)-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,4-dimethyloct-2-enoic acid (BioDeep_00002079285)
Formula: C41H70O11 (738.4918)
-0.61 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000001448 Unavailable 739.5112 739.5112 ~ 739.5112
MzDiff: none
PE(18:2/18:2) (BioDeep_00000597858)
Formula: C41H74NO8P (739.5152)
-0.83 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001805 Unavailable 739.5112 739.5112 ~ 739.5112
MzDiff: none
PE(18:2/18:2) (BioDeep_00000597858)
Formula: C41H74NO8P (739.5152)
-0.61 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000001935 Unreliable 739.5112 739.5112 ~ 739.5112
MzDiff: none
PE(18:2/18:2) (BioDeep_00000597858)
Formula: C41H74NO8P (739.5152)
1.52 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney
MSI_000026615 Unreliable 739.5122 739.5122 ~ 739.5122
MzDiff: none
PE(16:0/20:4) (BioDeep_00000030184)
Formula: C41H74NO8P (739.5152)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000027010 Unreliable 739.5094 739.5094 ~ 739.5094
MzDiff: none
PE-NMe(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000105365)
Formula: C40H68NO8P (721.4682)
1.78 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000030378 Unreliable 739.495 739.495 ~ 739.495
MzDiff: none
PE-NMe(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000105365)
Formula: C40H68NO8P (721.4682)
1.86 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031491 Unreliable 739.495 739.495 ~ 739.495
MzDiff: none
PE-NMe(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000105365)
Formula: C40H68NO8P (721.4682)
0.59 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex

Found 7 Sample Hits
Metabolite Species Sample
PE-NMe(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C40H68NO8P (721.4682)
Adducts: [M+NH4]+ (Ppm: 9.9)
Mus musculus (Lung)
image5
Resolution: 40μm, 163x183

Description

Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). 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-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green). Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0.

PE-NMe(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C40H68NO8P (721.4682)
Adducts: [M+NH4]+ (Ppm: 9.5)
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

PA(18:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C41H71O9P (738.4835)
Adducts: [M+H]+ (Ppm: 13.1)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

PA(13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C36H61O11P (700.3951)
Adducts: [M+K]+ (Ppm: 13.3)
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).

PA(18:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C41H71O9P (738.4835)
Adducts: [M+H]+ (Ppm: 12)
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-NMe(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C40H68NO8P (721.4682)
Adducts: [M+NH4]+ (Ppm: 0.7)
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_739.5007

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description