M/Z: 559.1088

Hit 1 annotations: 3-[(6-amino-2,4-dihydroxy-4,5,6,7-tetrahydro-3h-azepin-3-yl)-c-hydroxycarbonimidoyl]-3-[({3-[carboxy(chloro)methyl]-2-chloro-2-(1-chlorobutyl)cyclopropyl}(hydroxy)methylidene)amino]propanoic acid_[M+H]+

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 4 Reference Ions Near m/z 559.1088

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000010771 Unreliable	559.1088	559.1088 ~ 559.1088 MzDiff: `none`	3-[(6-amino-2,4-dihydroxy-4,5,6,7-tetrahydro-3h-azepin-3-yl)-c-hydroxycarbonimidoyl]-3-[({3-[carboxy(chloro)methyl]-2-chloro-2-(1-chlorobutyl)cyclopropyl}(hydroxy)methylidene)amino]propanoic acid (BioDeep_00002083942) Formula: C20H29Cl3N4O8 (558.1051)	3.26 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000010792 Unreliable	559.1009	559.1009 ~ 559.1009 MzDiff: `none`	5,15,25-trihydroxy-7,17,27-trimethylheptacyclo[20.8.0.0²,¹¹.0⁴,⁹.0¹²,²¹.0¹⁴,¹⁹.0²⁴,²⁹]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene-3,10,13,20,23,30-hexone (BioDeep_00002231138) Formula: C33H18O9 (558.0951)	3.19 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000009622 Unavailable	559.1088	559.1088 ~ 559.1088 MzDiff: `none`	3-[(6-amino-2,4-dihydroxy-4,5,6,7-tetrahydro-3h-azepin-3-yl)-c-hydroxycarbonimidoyl]-3-[({3-[carboxy(chloro)methyl]-2-chloro-2-(1-chlorobutyl)cyclopropyl}(hydroxy)methylidene)amino]propanoic acid (BioDeep_00002083942) Formula: C20H29Cl3N4O8 (558.1051)	-1.15 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000009656 Unavailable	559.1009	559.1009 ~ 559.1009 MzDiff: `none`	5,15,25-trihydroxy-7,17,27-trimethylheptacyclo[20.8.0.0²,¹¹.0⁴,⁹.0¹²,²¹.0¹⁴,¹⁹.0²⁴,²⁹]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene-3,10,13,20,23,30-hexone (BioDeep_00002231138) Formula: C33H18O9 (558.0951)	-1.27 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium

Found 2 Sample Hits

Metabolite	Species	Sample
3-[(6-amino-2,4-dihydroxy-4,5,6,7-tetrahydro-3h-azepin-3-yl)-c-hydroxycarbonimidoyl]-3-[({3-[carboxy(chloro)methyl]-2-chloro-2-(1-chlorobutyl)cyclopropyl}(hydroxy)methylidene)amino]propanoic acid Formula: C20H29Cl3N4O8 (558.1051) Adducts: [M+H]+ (Ppm: 6.4)	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.
3-[(6-amino-2,4-dihydroxy-4,5,6,7-tetrahydro-3h-azepin-3-yl)-c-hydroxycarbonimidoyl]-3-[({3-[carboxy(chloro)methyl]-2-chloro-2-(1-chlorobutyl)cyclopropyl}(hydroxy)methylidene)amino]propanoic acid Formula: C20H29Cl3N4O8 (558.1051) Adducts: [M+H]+ (Ppm: 13.9)	Mytilus edulis (mantle)	20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 Resolution: 10μm, 275x210 Description

Metabolite

Species

Sample

3-[(6-amino-2,4-dihydroxy-4,5,6,7-tetrahydro-3h-azepin-3-yl)-c-hydroxycarbonimidoyl]-3-[({3-[carboxy(chloro)methyl]-2-chloro-2-(1-chlorobutyl)cyclopropyl}(hydroxy)methylidene)amino]propanoic acid

Formula: C20H29Cl3N4O8 (558.1051)
Adducts: [M+H]+ (Ppm: 6.4)

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.

Mytilus edulis (mantle)

20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210

Resolution: 10μm, 275x210

Description