MassBank:KOX00593p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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allo-threonine

IDs and Links
MassBank	allo-threonine
CAS	28954-12-3
Keio ID	T020+

Top 10 Similar Molecules of allo-threonine

Ranking	About scoring
KOX00778p Score:26.32 KOX00586p Score:26.32 KOX00268p Score:19.72 KOX00743p Score:17.67 KOX00905p Score:16.54 KOX00406p Score:15.91 KOX00729p Score:14.78 KOX00702p Score:14.78 KOX00454p Score:14.78 KOX00254p Score:14.78	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
C4H10NO3 (120)	C4H8NO2 (102)	-H2O
C4H10NO3 (120)	C3H8NO (74)	b
C4H10NO3 (120)	C2H4NO2 (74)	d

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。

KOX00593p	120 C4H10NO3	102 C4H8NO2	84 C4H6NO	74 C3H8NO	74 C2H4NO2	60 C3H10N	57 C3H5O	56 C3H6N
120 C4H10NO3
102 C4H8NO2	H2O
84 C4H6NO	H4O2	H2O
74 C3H8NO	CH2O2	CO
74 C2H4NO2	C2H6O	C2H4
60 C3H10N	CO3
57 C3H5O	CH5NO2	CH3NO	CHN	H3N
56 C3H6N	CH4O3	CH2O2	CO	H2O		H4

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