MassBank:KOX00069p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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b-Ala-Lys

IDs and Links
MassBank	b-Ala-Lys
CAS
Keio ID	A127+

Top 10 Similar Molecules of b-Ala-Lys

Ranking	About scoring
KOX00393p Score:26.06 KOX00769p Score:16.85 KOX00508p Score:15.87 KOX00347p Score:15.87 KOX00095p Score:15.87 KOX00041p Score:15.87 KOX00343p Score:14.58 KOX00661p Score:14.26 KOX00687p Score:10.61 KOX00420p Score:10.61	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
C9H20N3O3 (218)	C9H17N2O3 (201)	-NH3
C9H20N3O3 (218)	C9H18N3O2 (200)	-H2O
C9H20N3O3 (218)	C6H15N2O2 (147)	c
C9H20N3O3 (218)	C6H12NO2 (130)	c,-NH3
C6H13N2O (129)	C5H13N2 (101)	IT
C6H13N2O (129)	C5H10N (84)	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。

KOX00069p	218 C9H20N3O3	201 C9H17N2O3	200 C9H18N3O2	183 C9H15N2O2	171 C8H15N2O2	165 C9H13N2O	147 C6H15N2O2	130 C6H12NO2	129 C6H13N2O	101 C5H13N2	84 C5H10N	74 C2H4NO2	67 C5H7	56 C3H6N
218 C9H20N3O3
201 C9H17N2O3	H3N
200 C9H18N3O2	H2O
183 C9H15N2O2	H5NO	H2O	H3N
171 C8H15N2O2	CH5NO	CH2O	CH3N	C
165 C9H13N2O	H7NO2	H4O2	H5NO	H2O
147 C6H15N2O2	C3H5NO	C3H2O	C3H3N	C3	C2
130 C6H12NO2	C3H8N2O	C3H5NO	C3H6N2	C3H3N	C2H3N		H3N
129 C6H13N2O	C3H7NO2	C3H4O2	C3H5NO	C3H2O	C2H2O	C3	H2O
101 C5H13N2	C4H7NO3	C4H4O3	C4H5NO2	C4H2O2	C3H2O2	C4O	CH2O2		CO
84 C5H10N	C4H10N2O3	C4H7NO3	C4H8N2O2	C4H5NO2	C3H5NO2	C4H3NO	CH5NO2	CH2O2	CH3NO	H3N
74 C2H4NO2	C7H16N2O	C7H13NO	C7H14N2	C7H11N	C6H11N		C4H11N	C4H8
67 C5H7	C4H13N3O3	C4H10N2O3	C4H11N3O2	C4H8N2O2	C3H8N2O2	C4H6N2O	CH8N2O2	CH5NO2	CH6N2O	H6N2	H3N
56 C3H6N	C6H14N2O3	C6H11NO3	C6H12N2O2	C6H9NO2	C5H9NO2	C6H7NO	C3H9NO2	C3H6O2	C3H7NO	C2H7N	C2H4

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