MassBank:KOX00276p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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g-Guanidinobutyrate

IDs and Links
MassBank	g-Guanidinobutyrate
CAS	463-00-3
Keio ID	G032+

Top 10 Similar Molecules of g-Guanidinobutyrate

Ranking	About scoring
KOX00662p Score:22.02 KOX00002p Score:19.04 KOX00420p Score:14.72 KOX00347p Score:14.72 KOX00894p Score:13.41 KOX00676p Score:11.74 KOX00666p Score:11.74 KOX00478p Score:11.74 KOX00233p Score:11.74 KOX00799p Score:11.01	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。

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Annotations

Precursor	Product	Comments
C5H12N3O2 (146)	C5H9N2O2 (129)	d
C5H12N3O2 (146)	C5H10N3O (128)	c
C5H12N3O2 (146)	C4H10NO2 (104)	a
C5H12N3O2 (146)	C4H7O2 (87)	b
C5H12N3O2 (146)	CH6N3 (60)	g

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。

KOX00276p	146 C5H12N3O2	129 C5H9N2O2	128 C5H10N3O	111 C5H7N2O	104 C4H10NO2	87 C4H7O2	86 C4H8NO	69 C4H5O	60 CH6N3	56 C3H6N	55 C4H7	55 C2H3N2
146 C5H12N3O2
129 C5H9N2O2	H3N
128 C5H10N3O	H2O
111 C5H7N2O	H5NO	H2O	H3N
104 C4H10NO2	CH2N2
87 C4H7O2	CH5N3	CH2N2			H3N
86 C4H8NO	CH4N2O	CHNO	CH2N2		H2O
69 C4H5O	CH7N3O	CH4N2O	CH5N3	CH2N2	H5NO	H2O	H3N
60 CH6N3	C4H6O2		C4H4O
56 C3H6N	C2H6N2O2	C2H3NO2	C2H4N2O	C2HNO	CH4O2		CH2O
55 C4H7	CH5N3O2	CH2N2O2	CH3N3O	CN2O	H3NO2	O2	HNO
55 C2H3N2	C3H9NO2	C3H6O2	C3H7NO	C3H4O

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