MassBank:KOX00642p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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5-Aminolevulinate

IDs and Links
MassBank	5-Aminolevulinate
CAS	106-60-5
Keio ID	A052+

Top 10 Similar Molecules of 5-Aminolevulinate

Ranking	About scoring
KOX00744p Score:26.99 KOX00083p Score:24.29 KOX00288p Score:19.07 KOX00740p Score:17.79 KOX00335p Score:17.78 KOX00547p Score:17.68 KOX00138p Score:17.68 KOX00223p Score:14.13 KOX00102p Score:13.64 KOX00739p Score:12.66	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
C5H10NO3 (132)	C5H8NO2 (114)	-H2O
C5H10NO3 (132)	C4H8NO (86)	a
C5H10NO3 (132)	C3H5O2 (73)	b
C5H10NO3 (132)	C3H6NO (72)	f
C5H8NO2 (114)	C4H8NO (86)	IT
C4H8NO (86)	C4H6N (68)	IT
C4H8NO (86)	C3H8N (58)	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。

KOX00642p	132 C5H10NO3	114 C5H8NO2	96 C5H6NO	86 C4H8NO	78 C5H4N	73 C3H5O2	72 C3H6NO	68 C4H6N	58 C3H8N	55 C3H3O
132 C5H10NO3
114 C5H8NO2	H2O
96 C5H6NO	H4O2	H2O
86 C4H8NO	CH2O2	CO
78 C5H4N	H6O3	H4O2	H2O
73 C3H5O2	C2H5NO	C2H3N
72 C3H6NO	C2H4O2	C2H2O	C2	CH2
68 C4H6N	CH4O3	CH2O2	CO	H2O
58 C3H8N	C2H2O3	C2O2		CO
55 C3H3O	C2H7NO2	C2H5NO	C2H3N	CH5N		H2O	H3N

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