MassBank:KOX00776p

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Ion Frequency

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Neutral Loss

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1-Methyl-2-pyrrolidone

IDs and Links
MassBank	1-Methyl-2-pyrrolidone
CAS	872-50-4
Keio ID	M024+

Top 10 Similar Molecules of 1-Methyl-2-pyrrolidone

Ranking	About scoring
KOX00343p Score:10.03 KOX00079p Score:10.03 KOX00687p Score:8.33 KOX00518p Score:8.33 KOX00904p Score:6.23 KOX00701p Score:6.23 KOX00718p Score:5.53 KOX00655p Score:5.53 KOX00654p Score:5.53 KOX00911p Score:4.49	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
C5H10NO (100)	C5H8N (82)	c
C5H10NO (100)	C4H5O (69)	b
C5H10NO (100)	C2H4NO (58)	a

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。

KOX00776p	100 C5H10NO	82 C5H8N	69 C4H5O	58 C2H4NO
100 C5H10NO
82 C5H8N	H2O
69 C4H5O	CH5N
58 C2H4NO	C3H6

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