MassBank:KOX00737p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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b-Guanidinopropionate

IDs and Links
MassBank	b-Guanidinopropionate
CAS
Keio ID	G039+

Top 10 Similar Molecules of b-Guanidinopropionate

Ranking	About scoring
KOX00104p Score:18.3 KOX00683p Score:11.48 KOX00251p Score:11.25 KOX00894p Score:9.84 KOX00147p Score:9.84 KOX00781p Score:8.45 KOX00676p Score:8.45 KOX00666p Score:8.45 KOX00653p Score:8.45 KOX00478p 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 C4H10N3O2:   KOX00683p   Pages Related to Peak C4H7N2O2:   KOX00251p  KOX00279p  KOX00504p  KOX00801p  KOX00834p   Pages Related to Peak C4H8N3O:   KOX00104p  KOX00147p  KOX00894p   Pages Related to Peak C4H5N2O:   KOX00104p  KOX00126p  KOX00251p  KOX00846p   Pages Related to Peak C3H8NO2:   KOX00008p  KOX00010p  KOX00018p  KOX00083p  KOX00499p  KOX00560p  KOX00662p  KOX00663p  KOX00683p  KOX00843p  KOX00903p   Pages Related to Peak C2H4N3O:   KOX00104p   Pages Related to Peak CH6N3:   KOX00029p  KOX00124p  KOX00233p  KOX00276p  KOX00347p  KOX00420p  KOX00478p  KOX00652p  KOX00653p  KOX00666p  KOX00672p  KOX00676p  KOX00781p  KOX00848p  KOX00881p   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  KOX00762p  KOX00780p  KOX00781p  KOX00787p  KOX00799p  KOX00894p  KOX00897p

Annotations

Precursor	Product	Comments
C4H10N3O2 (132)	C4H7N2O2 (115)	d
C4H10N3O2 (132)	C4H8N3O (114)	e
C4H10N3O2 (132)	C3H8NO2 (90)	a
C4H10N3O2 (132)	C2H6N3 (72)	c
C4H10N3O2 (132)	CH6N3 (60)	b

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。

KOX00737p	132 C4H10N3O2	115 C4H7N2O2	114 C4H8N3O	97 C4H5N2O	90 C3H8NO2	86 C2H4N3O	72 C2H6N3	60 CH6N3	55 C2H3N2
132 C4H10N3O2
115 C4H7N2O2	H3N
114 C4H8N3O	H2O
97 C4H5N2O	H5NO	H2O	H3N
90 C3H8NO2	CH2N2
86 C2H4N3O	C2H6O		C2H4
72 C2H6N3	C2H4O2		C2H2O
60 CH6N3	C3H4O2		C3H2O				C
55 C2H3N2	C2H7NO2	C2H4O2	C2H5NO	C2H2O		HNO	H3N

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