M/Z: 946.64

Hit 1 annotations: n-{4-[(2s,5s,8r,11r,17r)-8-benzyl-5-[(2s)-butan-2-yl]-3,6,9,12,15,18,21,24-octahydroxy-17-methyl-11-(2-methylpropyl)-14,20,23-tris(sec-butyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosa-1(24),3,6,9,12,15,18,21-octaen-2-yl]butyl}butanimidic acid_[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 4 Reference Ions Near m/z 946.64

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000006616 Reliable	946.6325	946.632 ~ 946.6329 MzDiff: `3.8 ppm`	PS(24:0/PGF2alpha) (BioDeep_00000208630) Formula: C50H92NO13P (945.6306)	5.36 (64%)	Rattus norvegicus [UBERON:0004358] caput epididymis
MSI_000011672 Unavailable	946.64	946.64 ~ 946.64 MzDiff: `none`	n-{4-[(2s,5s,8r,11r,17r)-8-benzyl-5-[(2s)-butan-2-yl]-3,6,9,12,15,18,21,24-octahydroxy-17-methyl-11-(2-methylpropyl)-14,20,23-tris(sec-butyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosa-1(24),3,6,9,12,15,18,21-octaen-2-yl]butyl}butanimidic acid (BioDeep_00002247140) Formula: C52H87N9O9 (981.6626)	-1.97 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000009075 Unreliable	946.64	946.64 ~ 946.64 MzDiff: `none`	n-{4-[(2s,5s,8r,11r,17r)-8-benzyl-5-[(2s)-butan-2-yl]-3,6,9,12,15,18,21,24-octahydroxy-17-methyl-11-(2-methylpropyl)-14,20,23-tris(sec-butyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosa-1(24),3,6,9,12,15,18,21-octaen-2-yl]butyl}butanimidic acid (BioDeep_00002247140) Formula: C52H87N9O9 (981.6626)	3.1 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000000564 Unavailable	946.64	946.64 ~ 946.64 MzDiff: `none`	n-{4-[(2s,5s,8r,11r,17r)-8-benzyl-5-[(2s)-butan-2-yl]-3,6,9,12,15,18,21,24-octahydroxy-17-methyl-11-(2-methylpropyl)-14,20,23-tris(sec-butyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosa-1(24),3,6,9,12,15,18,21-octaen-2-yl]butyl}butanimidic acid (BioDeep_00002247140) Formula: C52H87N9O9 (981.6626)	-0.43 (100%)	Mus musculus [CL:0000066] epithelial cell

Found 2 Sample Hits

Metabolite	Species	Sample
n-{4-[(2s,5s,8r,11r,17r)-8-benzyl-5-[(2s)-butan-2-yl]-3,6,9,12,15,18,21,24-octahydroxy-17-methyl-11-(2-methylpropyl)-14,20,23-tris(sec-butyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosa-1(24),3,6,9,12,15,18,21-octaen-2-yl]butyl}butanimidic acid Formula: C52H87N9O9 (981.6626) Adducts: [M+H-2H2O]+ (Ppm: 9.3)	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_946.6407 Formula: - (n/a) Adducts: (Ppm: )	Rattus norvegicus (Epididymis)	epik_dhb_head_ito08_46 Resolution: 17μm, 298x106 Description

Metabolite

Species

Sample

n-{4-[(2s,5s,8r,11r,17r)-8-benzyl-5-[(2s)-butan-2-yl]-3,6,9,12,15,18,21,24-octahydroxy-17-methyl-11-(2-methylpropyl)-14,20,23-tris(sec-butyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosa-1(24),3,6,9,12,15,18,21-octaen-2-yl]butyl}butanimidic acid

Formula: C52H87N9O9 (981.6626)
Adducts: [M+H-2H2O]+ (Ppm: 9.3)

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_946.6407

Formula: - (n/a)
Adducts: (Ppm: )

Rattus norvegicus (Epididymis)

epik_dhb_head_ito08_46

Resolution: 17μm, 298x106

Description