Lyso-PC 18:1(9Z) (BioDeep_00000412503)

   


代谢物信息卡片


Lyso-PC 18:1(9Z)

化学式: C26H52NO7P (521.3481212)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
InChI: InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1

描述信息

This mass spectral data is shown in Figure S7 of the publication.; Figure S7 shows that O attached precursor ions, [M+H+O*]+, are predominantly in the epoxide form. The [M+H+O*]+ ion is the product that [M+H]+ reacts with H2O microwave discharge (MSJ00187). The products of microwave discharge are mixture of gas-phase H*, OH*, and 3O (triplet O) radicals.; The instrument consists of QIT-TOF where Q selects [M+H]+ ion, IT is an ion trap chamber for the reaction of HAD, and TOF analyzes the product ions.; MS data of the substance is MSJ00178; Figure 1(A) Inset in the publication.; The sample was injected by direct infusion of methanol solution.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.; The lipid standard was purchased from Avanti Polar Lipids (Alabaster, AL).
FRAGMENTATION_MODE is RID that is Radical Induced Dissociation; MALDI generates [M+H]+ ion, which is dissociated by the reaction with 3O (triplet O) generated by O2 microwave discharge.; The instrument consists of QIT-TOF where Q selects [M+H]+ ion, IT is an ion trap chamber for the reaction of RID, and TOF analyzes the product ions.; This mass spectral data and fragment ions produced are shown in Figure S6_2 of the publication.; Relative intensity of the peaks m/z 180-199 is magnified by x5, those of the peaks m/z 200-507 by 100.; The sample was injected by direct infusion of methanol solution.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.; The lipid standard was purchased from Avanti Polar Lipids (Alabaster, AL).
MSJ00188 is shown in Figure 5 of the publication. The precursor ion is the [M+H+O]+ ion that is a major product ion of the reaction product of [M+H]+ with H2O microwave discharge (MSJ00187). In the present experiment, [M+H+O]+ ions are induced by the injection of 3O (triplet) from the microwave discharge of pure O2 gas.; Figure 5 shows that O attached precursor ions, [M+H+O]+, are predominantly in the epoxide form.; The instrument consists of QIT-TOF where Q selects [M+H]+ ion, IT is an ion trap chamber for the reaction of HAD, and TOF analyzes the product ions.; MS data of the substance is MSJ00178; Figure 1(A) Inset in the publication.; The sample was injected by direct infusion of methanol solution.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.; The lipid standard was purchased from Avanti Polar Lipids (Alabaster, AL).
MALDI generates a stable [M+H]+ ion. [M+H]+ reacts with the mixture of OH* and H* radicals, and 3O (triplet O) atom that microwave discharge of H2O generates. The reaction products, consisting of [M+H+H*], [M+H+O]+ and [M+H+OH*]+ ions, are dissociated to give product ions, which are detected as RID product ions.; The instrument consists of QIT-TOF where Q selects [M+H]+ ion, IT is an ion trap chamber for the reaction of RID, and TOF analyzes the product ions.; This mass spectral data is shown in Figure S5 of the publication. Fragment ions produced are explained in Scheme 2 of the publication. MS data of the substance is MSJ00178; Figure 1(A) Inset in the publication.; Relative Intensity of the peaks is magnified; m/z 180-199 by x5, m/z 200-505 by x100; The sample was injected by direct infusion of methanol solution.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.; The lipid standard was purchased from Avanti Polar Lipids (Alabaster, AL).
MALDI generates a stable [M+H]+ ion. Microwave discharge of H2O generates OH*, H* and 3O (triplet O) radicals. These radicals react with the stable [M+H]+ ion and give a mixture of [M+H+H*], [M+H+O]+ and [M+H+OH*]+ ions. In the present experiment, O2 gas is introduced after the H2O discharge.; The instrument consists of QIT-TOF where Q selects [M+H]+ ion, IT is an ion trap chamber for the reaction of RID, and TOF analyzes the product ions.; This mass spectral data is shown in Figure 4(C) of the publication. Fragment ions produced are annotated in Scheme 2 of the publication. MS data of the substance is MSJ00178; Figure 1(A) Inset in the publication.; Relative intensity of the peaks from m/z 300 to 499 is magnified by x10.; The sample was injected by direct infusion of methanol solution.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.; The lipid standard was purchased from Avanti Polar Lipids (Alabaster, AL).
RID is Radical Induced Dissociation; MALDI generates [M+H]+ ion, which is dissociated by the reaction with 3O (triplet O) generated by O2 microwave discharge.; The instrument consists of QIT-TOF where Q selects [M+H]+ ion, IT is an ion trap chamber for the reaction of RID, and TOF analyzes the product ions.; This mass spectral data is shown in Figure 4(B) of the publication. Fragment ions produced are annotated in Scheme 2. MS data of the substance is MSJ00178; Figure 1(A) Inset in the publication.; Relative Intensity of the peaks from m/z 300 to 499 is magnified by x10.; The sample was injected by direct infusion of methanol solution.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.; The lipid standard was purchased from Avanti Polar Lipids (Alabaster, AL).
What is Radical Induced Dissociation (RID)? Microwave discharge of H2O generates OH*, H* and 3O (triplet O) radicals. These radicals react to dissociate the stable [M+H]+ ion.; The instrument consists of QIT-TOF where Q selects [M+H]+ ion, IT is an ion trap chamber for the reaction of RID, and TOF analyzes the product ions.; This mass spectral data is shown in Figure 4(A) of the publication. Fragment ions produced are annotated in Scheme 2. MS data of the substance is MSJ00178; Figure 1(A) Inset in the publication.; Relative intensity of the peaks from m/z 300 to 499 is magnified by x100.; The sample was injected by direct infusion of methanol solution.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.; The lipid standard was purchased from Avanti Polar Lipids (Alabaster, AL).
This is an experiment to compare with MSJ00179 that uses Hydrogen Abstraction Dissociation (HAD) instead of CID for the dissociation of [M+H]+.; This mass spectral data is shown in Figure S3 of the publication.; The instrument consists of QIT-TOF where Q selects [M+H]+ ion, IT is an ion trap chamber for the reaction of HAD, and TOF analyzes the product ions.; MS data of the substance is MSJ00178; Figure 1(A) Inset in the publication.; The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.; The lipid standard was purchased from Avanti Polar Lipids (Alabaster, AL).
FRAGMENTATION_MODE is HAD that is Hydrogen Abstraction Dissociation; MALDI generates [M+H]+ ion, which is dissociated by the reaction with hydrogen radical (H*) generated by microwave-driven radical generator.; This mass spectral data is shown in Figure 1(A) of the publication.; The instrument consists of QIT-TOF where Q selects [M+H]+ ion, IT is an ion trap chamber for the reaction of HAD, and TOF analyzes the product ions.; MS data of the substance is MSJ00178; Figure 1(A) Inset in the publication.; The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.; The lipid standard was purchased from Avanti Polar Lipids (Alabaster, AL).
This mass spectral data is shown in Figure 1(A) Inset of the publication.; The sample was injected by direct infusion of methanol solution.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.; The lipid standard was purchased from Avanti Polar Lipids (Alabaster, AL).

同义名列表

1 个代谢物同义名

Lyso-PC 18:1(9Z)



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在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有:

  • PubMed: 来源于PubMed文献库中的文献信息,我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表,这个列表按照代谢物同时出现的文献数量降序排序,取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘,得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序,取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中,存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

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