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 844.5009
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000058164 Reliable 844.5004 844.5 ~ 844.501
MzDiff: 4.0 ppm
PE(DiMe(9,3)/6 keto-PGF1alpha) (BioDeep_00000209986)
Formula: C43H74NO13P (843.4898)
6.05 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000011510 Unavailable 844.5058 844.5058 ~ 844.5058
MzDiff: none
PE(DiMe(9,3)/6 keto-PGF1alpha) (BioDeep_00000209986)
Formula: C43H74NO13P (843.4898)
-0.1 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011679 Unavailable 844.4964 844.4964 ~ 844.4964
MzDiff: none
Not Annotated -2.01 (0%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000009313 Unreliable 844.4964 844.4964 ~ 844.4964
MzDiff: none
Not Annotated 0.29 (0%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009773 Unavailable 844.5058 844.5058 ~ 844.5058
MzDiff: none
PE(DiMe(9,3)/6 keto-PGF1alpha) (BioDeep_00000209986)
Formula: C43H74NO13P (843.4898)
-1.62 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000010 Unreliable 844.4964 844.4964 ~ 844.4964
MzDiff: none
Not Annotated 2.27 (0%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000011 Unreliable 844.5058 844.5058 ~ 844.5058
MzDiff: none
PE(DiMe(9,3)/6 keto-PGF1alpha) (BioDeep_00000209986)
Formula: C43H74NO13P (843.4898)
2.27 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000022893 Unreliable 844.499 844.499 ~ 844.499
MzDiff: none
Cyclopassifloside III (BioDeep_00000020555)
Formula: C43H72O16 (844.482)
0.89 (100%) Mus musculus
[UBERON:0004250] upper arm bone
MSI_000023770 Unreliable 844.499 844.499 ~ 844.499
MzDiff: none
Cyclopassifloside III (BioDeep_00000020555)
Formula: C43H72O16 (844.482)
1.17 (100%) Mus musculus
[UBERON:0004263] upper arm skin
MSI_000028148 Unreliable 844.5107 844.5107 ~ 844.5107
MzDiff: none
PE(DiMe(9,3)/6 keto-PGF1alpha) (BioDeep_00000209986)
Formula: C43H74NO13P (843.4898)
1.85 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028444 Unreliable 844.5009 844.5009 ~ 844.5009
MzDiff: none
PE(14:1(9Z)/LTE4) (BioDeep_00000185704)
Formula: C42H73N2O11PS (844.4672)
1.11 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000056051 Unavailable 844.501 844.501 ~ 844.501
MzDiff: none
PE(DiMe(9,3)/6 keto-PGF1alpha) (BioDeep_00000209986)
Formula: C43H74NO13P (843.4898)
-0.52 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 10 Sample Hits
Metabolite Species Sample
PE(DiMe(9,3)/6 keto-PGF1alpha)

Formula: C43H74NO13P (843.4898)
Adducts: [M+H]+ (Ppm: 10.4)
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.

Cyclopassifloside III

Formula: C43H72O16 (844.482)
Adducts: [M-H2O+NH4]+ (Ppm: 7.4)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

PE(14:1(9Z)/LTE4)

Formula: C42H73N2O11PS (844.4672)
Adducts: [M-H2O+NH4]+ (Ppm: 12.3)
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

PE(DiMe(9,3)/6 keto-PGF1alpha)

Formula: C43H74NO13P (843.4898)
Adducts: [M+H]+ (Ppm: 3.9)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PE(DiMe(9,3)/6 keto-PGF1alpha)

Formula: C43H74NO13P (843.4898)
Adducts: [M+H]+ (Ppm: 5.5)
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).

PE(DiMe(9,3)/6 keto-PGF1alpha)

Formula: C43H74NO13P (843.4898)
Adducts: [M+H]+ (Ppm: 0.9)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PE(DiMe(9,3)/6 keto-PGF1alpha)

Formula: C43H74NO13P (843.4898)
Adducts: [M+H]+ (Ppm: 3.5)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PE(DiMe(9,3)/6 keto-PGF1alpha)

Formula: C43H74NO13P (843.4898)
Adducts: [M+H]+ (Ppm: 4.7)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PE(DiMe(9,3)/6 keto-PGF1alpha)

Formula: C43H74NO13P (843.4898)
Adducts: [M+H]+ (Ppm: 3.9)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PE(DiMe(9,3)/6 keto-PGF1alpha)

Formula: C43H74NO13P (843.4898)
Adducts: [M+H]+ (Ppm: 4.2)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description