MassBank:KOX00861p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Spermidine

IDs and Links
MassBank	Spermidine
CAS	124-20-9
Keio ID	S003+

Top 10 Similar Molecules of Spermidine

Ranking	About scoring
KOX00655p Score:33.44 KOX00862p Score:23.52 KOX00654p Score:23.52 KOX00648p Score:11.85 KOX00343p Score:11.03 KOX00762p Score:10.99 KOX00464p Score:10.99 KOX00830p Score:9 KOX00661p Score:7.74 KOX00908p Score:7.7	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
C7H20N3 (146)	C7H17N2 (129)	-NH3
C7H20N3 (146)	C4H10N (72)	e,-NH3
C7H20N3 (146)	C3H8N (58)	d,-NH3

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。

KOX00861p	146 C7H20N3	129 C7H17N2	112 C7H14N	84 C5H10N	72 C4H10N	58 C3H8N	55 C4H7
146 C7H20N3
129 C7H17N2	H3N
112 C7H14N	H6N2	H3N
84 C5H10N	C2H10N2	C2H7N	C2H4
72 C4H10N	C3H10N2	C3H7N	C3H4	C
58 C3H8N	C4H12N2	C4H9N	C4H6	C2H2	CH2
55 C4H7	C3H13N3	C3H10N2	C3H7N	CH3N	H3N

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