M/Z: 739.4395

Hit 3 annotations: n-methyl[(1s)-1-{4-[(2r,3r,4e,6e,8r,9r,10r,11e,13e,15z,17r,18s,19e,22e)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-methylbutoxy]carboximidic acid_[M+H]+; PA(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))_[M+H-H2O]+; PGP(a-13:0/a-17:0)_[M+H-2H2O]+

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 739.4395

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000011650 Unavailable	739.4386	739.4386 ~ 739.4386 MzDiff: `none`	n-methyl[(1s)-1-{4-[(2r,3r,4e,6e,8r,9r,10r,11e,13e,15z,17r,18s,19e,22e)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-methylbutoxy]carboximidic acid (BioDeep_00002079540) Formula: C42H62N2O7S (738.4278)	-1.88 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000008997 Unreliable	739.446	739.446 ~ 739.446 MzDiff: `none`	Not Annotated	3.16 (0%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000009073 Unreliable	739.4386	739.4386 ~ 739.4386 MzDiff: `none`	n-methyl[(1s)-1-{4-[(2r,3r,4e,6e,8r,9r,10r,11e,13e,15z,17r,18s,19e,22e)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-methylbutoxy]carboximidic acid (BioDeep_00002079540) Formula: C42H62N2O7S (738.4278)	3.1 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000000852 Unavailable	739.446	739.446 ~ 739.446 MzDiff: `none`	Not Annotated	-0.63 (0%)	Mus musculus [CL:0000066] epithelial cell
MSI_000029612 Unreliable	739.4471	739.4471 ~ 739.4471 MzDiff: `none`	PA(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000189376) Formula: C43H65O9P (756.4366)	0.2 (100%)	Macropus giganteus [UBERON:0002336] corpus callosum
MSI_000030493 Unreliable	739.4395	739.4395 ~ 739.4395 MzDiff: `none`	PGP(a-13:0/a-17:0) (BioDeep_00000108870) Formula: C36H72O13P2 (774.4448)	1.67 (100%)	Macropus giganteus [UBERON:0003027] cingulate cortex
MSI_000030719 Unreliable	739.4471	739.4471 ~ 739.4471 MzDiff: `none`	PA(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000189376) Formula: C43H65O9P (756.4366)	1.16 (100%)	Macropus giganteus [UBERON:0003027] cingulate cortex
MSI_000031235 Unreliable	739.4471	739.4471 ~ 739.4471 MzDiff: `none`	PA(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000189376) Formula: C43H65O9P (756.4366)	1.71 (100%)	Macropus giganteus [UBERON:0006093] precuneus cortex
MSI_000031292 Unreliable	739.4395	739.4395 ~ 739.4395 MzDiff: `none`	PGP(a-13:0/a-17:0) (BioDeep_00000108870) Formula: C36H72O13P2 (774.4448)	1.4 (100%)	Macropus giganteus [UBERON:0006093] precuneus cortex
MSI_000031547 Unreliable	739.4335	739.4335 ~ 739.4335 MzDiff: `none`	Not Annotated	0.38 (0%)	Macropus giganteus [UBERON:0006093] precuneus cortex

Found 3 Sample Hits

Metabolite	Species	Sample
n-methyl[(1s)-1-{4-[(2r,3r,4e,6e,8r,9r,10r,11e,13e,15z,17r,18s,19e,22e)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-methylbutoxy]carboximidic acid Formula: C42H62N2O7S (738.4278) Adducts: [M+H]+ (Ppm: 4.8)	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.
PA(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C43H65O9P (756.4366) Adducts: [M+H-H2O]+ (Ppm: 14.9)	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
PGP(a-13:0/a-17:0) Formula: C36H72O13P2 (774.4448) Adducts: [M+H-2H2O]+ (Ppm: 11.6)	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

Metabolite

Species

Sample

n-methyl[(1s)-1-{4-[(2r,3r,4e,6e,8r,9r,10r,11e,13e,15z,17r,18s,19e,22e)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-methylbutoxy]carboximidic acid

Formula: C42H62N2O7S (738.4278)
Adducts: [M+H]+ (Ppm: 4.8)

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.

PA(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C43H65O9P (756.4366)
Adducts: [M+H-H2O]+ (Ppm: 14.9)

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

PGP(a-13:0/a-17:0)

Formula: C36H72O13P2 (774.4448)
Adducts: [M+H-2H2O]+ (Ppm: 11.6)

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