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 10 Reference Ions Near m/z 546.3396
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000008195 Reliable 546.3321 546.3321 ~ 546.3321
MzDiff: 0.3 ppm
Anamorelin (BioDeep_00000176043)
Formula: C31H42N6O3 (546.3318)
15.8 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000006697 546.3427 546.3425 ~ 546.3429
MzDiff: 1.7 ppm
Rosamicin (BioDeep_00000183015)
Formula: C31H51NO9 (581.3564)
3.01 (50%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000020621 Unreliable 546.3435 546.3432 ~ 546.3437
MzDiff: 1.9 ppm
3-Palmitoylcatechin (BioDeep_00000173986)
Formula: C31H44O7 (528.3087)
3.28 (50%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000006489 546.3476 546.3476 ~ 546.3476
MzDiff: none
Not Annotated 3.75 (0%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000008889 Unreliable 546.3478 546.3478 ~ 546.3478
MzDiff: none
Milbemectin (BioDeep_00000002388)
Formula: C31H44O7 (528.3087)
3.22 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000008892 Unreliable 546.3396 546.3396 ~ 546.3396
MzDiff: none
(2e,4e)-5-[(10s,17s,18s,22s,23r,26s)-7,7,9,9,17,18,22-heptamethyl-21-oxo-8-oxa-15-azaheptacyclo[14.11.0.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁷,²⁶.0¹⁸,²³]heptacosa-1(16),2,4(12),5,13-pentaen-22-yl]-2-methylpenta-2,4-dienoic acid (BioDeep_00002141217)
Formula: C38H47NO4 (581.3505)
3.22 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000541 Unavailable 546.3396 546.3396 ~ 546.3396
MzDiff: none
(2e,4e)-5-[(10s,17s,18s,22s,23r,26s)-7,7,9,9,17,18,22-heptamethyl-21-oxo-8-oxa-15-azaheptacyclo[14.11.0.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁷,²⁶.0¹⁸,²³]heptacosa-1(16),2,4(12),5,13-pentaen-22-yl]-2-methylpenta-2,4-dienoic acid (BioDeep_00002141217)
Formula: C38H47NO4 (581.3505)
-0.4 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000578 Unavailable 546.3478 546.3478 ~ 546.3478
MzDiff: none
Milbemectin (BioDeep_00000002388)
Formula: C31H44O7 (528.3087)
-0.46 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000050310 Unreliable 546.3437 546.3437 ~ 546.3437
MzDiff: none
Westiellamide (BioDeep_00000010881)
Formula: C27H42N6O6 (546.3166)
0 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000057157 Unreliable 546.3412 546.3412 ~ 546.3412
MzDiff: none
Rosamicin (BioDeep_00000183015)
Formula: C31H51NO9 (581.3564)
1.34 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 13 Sample Hits
Metabolite Species Sample
(2e,4e)-5-[(10s,17s,18s,22s,23r,26s)-7,7,9,9,17,18,22-heptamethyl-21-oxo-8-oxa-15-azaheptacyclo[14.11.0.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁷,²⁶.0¹⁸,²³]heptacosa-1(16),2,4(12),5,13-pentaen-22-yl]-2-methylpenta-2,4-dienoic acid

Formula: C38H47NO4 (581.3505)
Adducts: [M+H-2H2O]+ (Ppm: 5.4)
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.

m/z_546.3437

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

3-Palmitoylcatechin

Formula: C31H44O7 (528.3087)
Adducts: [M+NH4]+ (Ppm: 1.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

Rosamicin

Formula: C31H51NO9 (581.3564)
Adducts: [M+H-2H2O]+ (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

m/z_546.3429

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

m/z_546.3432

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

m/z_546.3425

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

Rosamicin

Formula: C31H51NO9 (581.3564)
Adducts: [M+H-2H2O]+ (Ppm: 0.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

3-Palmitoylcatechin

Formula: C31H44O7 (528.3087)
Adducts: [M+NH4]+ (Ppm: 2.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

m/z_546.3434

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

m/z_546.343

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

Rosamicin

Formula: C31H51NO9 (581.3564)
Adducts: [M+H-2H2O]+ (Ppm: 2.4)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

Westiellamide

Formula: C27H42N6O6 (546.3166)
Adducts: [M-H2O+NH4]+ (Ppm: 7.1)
Mytilus edulis (gill)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell