Ojima: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
M032+ Score:51.77 B010+ Score:16.38 A203+ Score:11.32 V020+ Score:9.24 G039+ Score:8.36 B026+ Score:8.36 A225+ Score:8.36 A104+ Score:8.36 O009+ Score:8.36 M035+ Score:8.36	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 C4H12N5:   M032+   Pages Related to Peak C4H9N4:   M032+   Pages Related to Peak C3H10N3:   M032+   Pages Related to Peak C2H5N4:   A045+  B010+  M032+   Pages Related to Peak C3H7N2:   F025+  A044+  A203+  H112+  M032+  V020+   Pages Related to Peak C2H2N3:   A203+  B010+  M032+   Pages Related to Peak CH6N3:   A039+  B019+  E015+  G032+  H073+  M035+  O009+  A103+  A104+  A225+  B010+  B026+  G039+  M032+  P105+  T033+   Pages Related to Peak C2H4N2:   M032+  M033+   Pages Related to Peak C2H3N2:   A071+  A133+  A136+  A237+  C034+  C208+  E015+  G015+  G032+  H014+  H073+  M035+  M042+  M043+  M074+  M104+  O009+  Z002+  A104+  A225+  B026+  D082+  D183+  G039+  I063+  M030+  M032+  M051+  M110+  V020+  X012+

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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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