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 12 Reference Ions Near m/z 533.4556
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000065058 Reliable 533.4562 533.456 ~ 533.4564
MzDiff: 1.4 ppm
1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione (BioDeep_00000177737)
Formula: C30H55N5O3 (533.4305)
4.12 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000053363 Unreliable 533.4547 533.4547 ~ 533.4547
MzDiff: 0.1 ppm
1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione (BioDeep_00000177737)
Formula: C30H55N5O3 (533.4305)
4.26 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000011579 Unavailable 533.4473 533.4473 ~ 533.4473
MzDiff: none
Not Annotated -1.07 (%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011616 Unavailable 533.4541 533.4541 ~ 533.4541
MzDiff: none
1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione (BioDeep_00000177737)
Formula: C30H55N5O3 (533.4305)
-1.49 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011592 Unavailable 533.4641 533.4641 ~ 533.4641
MzDiff: none
Calcium myristate (BioDeep_00000228012)
Formula: C28H54CaO4 (494.3648)
-1.2 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000053426 Unreliable 533.4595 533.4595 ~ 533.4595
MzDiff: none
1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione (BioDeep_00000177737)
Formula: C30H55N5O3 (533.4305)
2.52 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000009342 Unavailable 533.4473 533.4473 ~ 533.4473
MzDiff: none
Not Annotated -0.07 (%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009344 Unavailable 533.4541 533.4541 ~ 533.4541
MzDiff: none
1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione (BioDeep_00000177737)
Formula: C30H55N5O3 (533.4305)
-0.08 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009432 Unavailable 533.4641 533.4641 ~ 533.4641
MzDiff: none
Calcium myristate (BioDeep_00000228012)
Formula: C28H54CaO4 (494.3648)
-0.41 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000353 Unreliable 533.4473 533.4473 ~ 533.4473
MzDiff: none
Not Annotated 0.54 (%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000274 Unreliable 533.4541 533.4541 ~ 533.4541
MzDiff: none
1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione (BioDeep_00000177737)
Formula: C30H55N5O3 (533.4305)
1.11 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000287 Unreliable 533.4641 533.4641 ~ 533.4641
MzDiff: none
Calcium myristate (BioDeep_00000228012)
Formula: C28H54CaO4 (494.3648)
1.04 (100%) Mus musculus
[CL:0000066] epithelial cell

Found 32 Sample Hits
Metabolite Species Sample
1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 0.7)
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.

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 4.3)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 0.6)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 3.3)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 1.8)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 8.8)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 2.6)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 10.8)
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).

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 0.7)
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).

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 2.9)
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).

28-Homobrassinolide

Formula: C29H50O6 (494.3607)
Adducts: [M+K]+ (Ppm: 0.1)
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).

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 1.6)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 2.9)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 2.6)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 4.3)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 3.1)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 2.9)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 3.5)
Homo sapiens (esophagus)
LNTO30_8M_4
Resolution: 75μm, 62x48

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 3.3)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 3.3)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 5)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 8.6)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 6.5)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 3.9)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 4.3)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 3.1)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 2.9)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 2.8)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 1.8)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 2.9)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 1.8)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Formula: C30H55N5O3 (533.4305)
Adducts: [M-H2O+NH4]+ (Ppm: 2.6)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description