MassBank:KOX00672p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Buformin

IDs and Links
MassBank	Buformin
CAS	692-13-7
Keio ID	B010+

Top 10 Similar Molecules of Buformin

Ranking	About scoring
KOX00781p Score:17.02 KOX00396p Score:12.86 KOX00909p Score:10.16 KOX00664p Score:9.51 KOX00124p Score:8.42 KOX00676p Score:7.84 KOX00666p Score:7.84 KOX00478p Score:7.84 KOX00420p Score:7.84 KOX00347p Score:7.84	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
C6H16N5 (158)	C6H13N4 (141)	-NH3
C6H16N5 (158)	C5H14N3 (116)	a
C6H16N5 (158)	C5H11N2 (99)	e
C6H16N5 (158)	C2H5N4 (85)	b
C6H16N5 (158)	C4H12N (74)	f
C6H16N5 (158)	CH6N3 (60)	c
C6H16N5 (158)	C4H9 (57)	d
C6H16N5 (158)	C4H7 (55)	d
C6H16N5 (158)	C4H5 (53)	d
C6H13N4 (141)	C5H11N2 (99)	IT
C6H13N4 (141)	C2H5N4 (85)	IT
C6H13N4 (141)	C2H4N3 (70)	IT
C6H13N4 (141)	C4H9 (57)	IT
C5H14N3 (116)	C5H11N2 (99)	IT
C5H14N3 (116)	C4H12N (74)	IT
C5H14N3 (116)	C2H4N3 (70)	IT

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。

KOX00672p	158 C6H16N5	141 C6H13N4	116 C5H14N3	99 C5H11N2	85 C2H5N4	74 C4H12N	70 C2H4N3	68 C2H2N3	60 CH6N3	57 C4H9	55 C4H7	53 C4H5
158 C6H16N5
141 C6H13N4	H3N
116 C5H14N3	CH2N2
99 C5H11N2	CH5N3	CH2N2	H3N
85 C2H5N4	C4H11N	C4H8
74 C4H12N	C2H4N4	C2HN3	CH2N2
70 C2H4N3	C4H12N2	C4H9N	C3H10		HN
68 C2H2N3	C4H14N2	C4H11N	C3H12		H3N		H2
60 CH6N3	C5H10N2	C5H7N	C4H8
57 C4H9	C2H7N5	C2H4N4	CH5N3	CH2N2		H3N
55 C4H7	C2H9N5	C2H6N4	CH7N3	CH4N2		H5N				H2
53 C4H5	C2H11N5	C2H8N4	CH9N3	CH6N2		H7N				H4	H2

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