MassBank:KOX00279p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Gly-Gly

IDs and Links
MassBank	Gly-Gly
CAS	556-50-3
Keio ID	G037+

Top 10 Similar Molecules of Gly-Gly

Ranking	About scoring
KOX00012p Score:12.35 KOX00701p Score:11.95 KOX00251p Score:11.77 KOX00818p Score:9.21 KOX00474p Score:9.21 KOX00903p Score:5.72 KOX00683p Score:5.72 KOX00290p Score:5.72 KOX00284p Score:5.72 KOX00262p Score:5.72	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 C4H9N2O3:   KOX00012p   Pages Related to Peak C4H7N2O2:   KOX00251p  KOX00504p  KOX00737p  KOX00801p  KOX00834p   Pages Related to Peak C3H9N2O2:   KOX00251p  KOX00701p   Pages Related to Peak C3H7N2O:   KOX00012p  KOX00223p  KOX00683p  KOX00903p   Pages Related to Peak C2H6NO2:   KOX00262p  KOX00284p  KOX00290p  KOX00701p   Pages Related to Peak C4H9O:   KOX00043p  KOX00406p  KOX00474p  KOX00633p  KOX00773p  KOX00818p   Pages Related to Peak C4H8N:   KOX00024p  KOX00029p  KOX00064p  KOX00138p  KOX00306p  KOX00364p  KOX00398p  KOX00440p  KOX00474p  KOX00478p  KOX00487p  KOX00512p  KOX00635p  KOX00638p  KOX00648p  KOX00652p  KOX00655p  KOX00676p  KOX00679p  KOX00698p  KOX00736p  KOX00743p  KOX00752p  KOX00818p  KOX00827p  KOX00830p  KOX00838p  KOX00848p  KOX00873p  KOX00874p  KOX00890p  KOX00912p

Annotations

Precursor	Product	Comments
C4H9N2O3 (133)	C4H7N2O2 (115)	-H2O
C4H9N2O3 (133)	C3H9N2O2 (105)	x
C4H9N2O3 (133)	C3H7N2O (87)	b
C4H9N2O3 (133)	C2H6NO2 (76)	a

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。

KOX00279p	133 C4H9N2O3	115 C4H7N2O2	105 C3H9N2O2	87 C3H7N2O	76 C2H6NO2	73 C4H9O	70 C4H8N
133 C4H9N2O3
115 C4H7N2O2	H2O
105 C3H9N2O2	CO
87 C3H7N2O	CH2O2	CO	H2O
76 C2H6NO2	C2H3NO	C2HN	CH3N
73 C4H9O	N2O2
70 C4H8N	HNO3

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