MassBank:KOX00707p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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5-Deoxy-5-Methylthioadenosine

IDs and Links
MassBank	5-Deoxy-5-Methylthioadenosine
CAS	2457-80-9
Keio ID	D067+

Top 10 Similar Molecules of 5-Deoxy-5-Methylthioadenosine

Ranking	About scoring
KOX00004p Score:23.54 KOX00711p Score:18.16 KOX00708p Score:18.16 KOX00633p Score:18.16 KOX00245p Score:18.16 KOX00636p Score:17.27 KOX00799p Score:12.91 KOX00451p Score:12.91 KOX00443p Score:12.91 KOX00435p Score:12.91	The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules: $\textstyle - \sum_{p\in shared} \log(\mbox{frequency}(p))$ 代謝物間の類似度スコアは、それらのスペクトルで共有される（アノテートされた）イオン式のシャノン情報量の総和です。

Links

Page list for each fragment

Pages Related to Peak C11H16N5O3S:   KOX00636p   Pages Related to Peak C5H6N5:   KOX00004p  KOX00027p  KOX00245p  KOX00633p  KOX00636p  KOX00708p  KOX00711p   Pages Related to Peak C5H3N4:   KOX00004p  KOX00027p  KOX00245p  KOX00315p  KOX00435p  KOX00443p  KOX00451p  KOX00633p  KOX00708p  KOX00711p  KOX00787p  KOX00799p   Pages Related to Peak C5H5O2:   KOX00004p  KOX00077p  KOX00272p  KOX00483p  KOX00526p  KOX00636p   Pages Related to Peak C4H4N3:   KOX00004p  KOX00054p  KOX00111p  KOX00145p  KOX00174p  KOX00197p  KOX00245p  KOX00315p  KOX00420p  KOX00427p  KOX00429p  KOX00435p  KOX00443p  KOX00451p  KOX00526p  KOX00631p  KOX00633p  KOX00708p  KOX00711p  KOX00721p  KOX00780p  KOX00787p  KOX00799p  KOX00829p  KOX00841p  KOX00876p   Pages Related to Peak C3H7S:   KOX00729p   Pages Related to Peak C3H3N2:   KOX00004p  KOX00054p  KOX00081p  KOX00111p  KOX00174p  KOX00197p  KOX00245p  KOX00315p  KOX00420p  KOX00427p  KOX00429p  KOX00435p  KOX00443p  KOX00451p  KOX00633p  KOX00684p  KOX00708p  KOX00711p  KOX00780p  KOX00799p  KOX00802p  KOX00829p  KOX00841p  KOX00876p   Pages Related to Peak C2H5S:   KOX00048p  KOX00051p  KOX00181p  KOX00254p  KOX00406p  KOX00661p  KOX00885p

Annotations

Precursor	Product	Comments
C11H16N5O3S (298)	C6H11O3S (163)	b
C11H16N5O3S (298)	C5H6N5 (136)	a
C11H16N5O3S (298)	C3H7S (75)	c
C11H16N5O3S (298)	C2H5S (61)	d
C6H11O3S (163)	C6H9O2S (145)	IT
C6H11O3S (163)	C3H7S (75)	IT
C6H11O3S (163)	C2H5S (61)	IT

Precursor-Product Relationship

About the PP Table (行列表示について)
The matrix is viewed columnwise. The topmost precursor ion in bold face produces the product ions beneath it. Each formula in matrix cells corresponds to the neutral loss. Blackout cells indicate products that cannot be derived, and orange cells indicate a structurally plausible link produced by cleaving a single chemical bond (in cases of ring-opening, two bonds).	行列は列方向に見ます。最上段太字の前駆イオン(precursor ion)が直下の生成イオン群(product ions)になると解釈します。 行列要素に書かれている組成式はニュートラルロスです。黒は前駆イオンから生成しえない関係、オレンジは分子構造における共有結合1本の切断（開環の場合は2本）で生じる関係を意味します。

KOX00707p	298 C11H16N5O3S	163 C6H11O3S	145 C6H9O2S	136 C5H6N5	119 C5H3N4	97 C5H5O2	94 C4H4N3	75 C3H7S	67 C3H3N2	61 C2H5S
298 C11H16N5O3S
163 C6H11O3S	C5H5N5
145 C6H9O2S	C5H7N5O	H2O
136 C5H6N5	C6H10O3S
119 C5H3N4	C6H13NO3S			H3N
97 C5H5O2	C6H11N5OS	CH6OS	CH4S
94 C4H4N3	C7H12N2O3S			CH2N2
75 C3H7S	C8H9N5O3	C3H4O3	C3H2O2
67 C3H3N2	C8H13N3O3S			C2H3N3	C2N2		CHN
61 C2H5S	C9H11N5O3	C4H6O3	C4H4O2					CH2

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