MassBank:KOX00781p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Metformin

IDs and Links
MassBank	Metformin
CAS
Keio ID	M032+

Top 10 Similar Molecules of Metformin

Ranking	About scoring
KOX00672p Score:17.02 KOX00664p Score:11.77 KOX00894p Score:9.43 KOX00737p Score:8.45 KOX00676p Score:8.45 KOX00666p Score:8.45 KOX00653p Score:8.45 KOX00478p Score:8.45 KOX00420p Score:8.45 KOX00347p Score:8.45	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 C2H5N4:   KOX00036p  KOX00672p   Pages Related to Peak C3H7N2:   KOX00251p  KOX00639p  KOX00664p  KOX00754p  KOX00894p   Pages Related to Peak C2H2N3:   KOX00664p  KOX00672p   Pages Related to Peak CH6N3:   KOX00029p  KOX00124p  KOX00233p  KOX00276p  KOX00347p  KOX00420p  KOX00478p  KOX00652p  KOX00653p  KOX00666p  KOX00672p  KOX00676p  KOX00737p  KOX00848p  KOX00881p   Pages Related to Peak C2H4N2:   KOX00782p   Pages Related to Peak C2H3N2:   KOX00054p  KOX00077p  KOX00081p  KOX00111p  KOX00147p  KOX00181p  KOX00233p  KOX00266p  KOX00276p  KOX00315p  KOX00347p  KOX00420p  KOX00427p  KOX00429p  KOX00443p  KOX00451p  KOX00478p  KOX00633p  KOX00653p  KOX00666p  KOX00676p  KOX00711p  KOX00721p  KOX00737p  KOX00762p  KOX00780p  KOX00787p  KOX00799p  KOX00894p  KOX00897p

Annotations

Precursor	Product	Comments
C4H12N5 (130)	C4H9N4 (113)	c
C4H12N5 (130)	C3H10N3 (88)	d
C4H12N5 (130)	C2H5N4 (85)	e
C4H12N5 (130)	C3H7N2 (71)	d,-NH3
C4H12N5 (130)	CH6N3 (60)	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。

KOX00781p	130 C4H12N5	113 C4H9N4	88 C3H10N3	85 C2H5N4	71 C3H7N2	68 C2H2N3	60 CH6N3	56 C2H4N2	55 C2H3N2
130 C4H12N5
113 C4H9N4	H3N
88 C3H10N3	CH2N2
85 C2H5N4	C2H7N	C2H4
71 C3H7N2	CH5N3	CH2N2	H3N
68 C2H2N3	C2H10N2	C2H7N	CH8	H3N
60 CH6N3	C3H6N2	C3H3N	C2H4
56 C2H4N2	C2H8N3	C2H5N2	CH6N	HN2	CH3
55 C2H3N2	C2H9N3	C2H6N2	CH7N	H2N2	CH4			H

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