MassBank:KOX00313p

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Ion Frequency

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Neutral Loss

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Homocarnosine

IDs and Links
MassBank	Homocarnosine
CAS	3650-73-5
Keio ID	H013+

Top 10 Similar Molecules of Homocarnosine

Ranking	About scoring
KOX00086p Score:39.93 KOX00308p Score:39.5 KOX00136p Score:39.5 KOX00056p Score:39.5 KOX00793p Score:23.01 KOX00749p Score:23.01 KOX00062p Score:23.01 KOX00791p Score:20.02 KOX00750p Score:20.02 KOX00215p Score:20.02	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
C10H17N4O3 (241)	C10H14N3O3 (224)	a
C10H17N4O3 (241)	C10H15N4O2 (223)	-H2O
C10H17N4O3 (241)	C6H10N3O2 (156)	c
C10H17N4O3 (241)	C4H7N2 (83)	g
C10H17N4O3 (241)	C4H5N2 (81)	g
C6H10N3O2 (156)	C5H8N3 (110)	IT
C5H8N3 (110)	C5H5N2 (93)	IT
C5H8N3 (110)	C4H7N2 (83)	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。

KOX00313p	241 C10H17N4O3	224 C10H14N3O3	223 C10H15N4O2	205 C10H13N4O	180 C9H14N3O	156 C6H10N3O2	110 C5H8N3	95 C5H7N2	93 C5H5N2	83 C4H7N2	81 C4H5N2	69 C4H5O	68 C4H6N	56 C3H6N	54 C3H4N
241 C10H17N4O3
224 C10H14N3O3	H3N
223 C10H15N4O2	H2O
205 C10H13N4O	H4O2		H2O
180 C9H14N3O	CH3NO2	CO2	CHNO
156 C6H10N3O2	C4H7NO	C4H4O	C4H5N
110 C5H8N3	C5H9NO3	C5H6O3	C5H7NO2	C5H5NO	C4H6O	CH2O2
95 C5H7N2	C5H10N2O3	C5H7NO3	C5H8N2O2	C5H6N2O	C4H7NO	CH3NO2	HN
93 C5H5N2	C5H12N2O3	C5H9NO3	C5H10N2O2	C5H8N2O	C4H9NO	CH5NO2	H3N	H2
83 C4H7N2	C6H10N2O3	C6H7NO3	C6H8N2O2	C6H6N2O	C5H7NO	C2H3NO2	CHN	C
81 C4H5N2	C6H12N2O3	C6H9NO3	C6H10N2O2	C6H8N2O	C5H9NO	C2H5NO2	CH3N	CH2	C	H2
69 C4H5O	C6H12N4O2	C6H9N3O2	C6H10N4O	C6H8N4	C5H9N3	C2H5N3O
68 C4H6N	C6H11N3O3	C6H8N2O3	C6H9N3O2	C6H7N3O	C5H8N2O	C2H4N2O2	CH2N2	CHN		HN
56 C3H6N	C7H11N3O3	C7H8N2O3	C7H9N3O2	C7H7N3O	C6H8N2O	C3H4N2O2	C2H2N2	C2HN		CHN			C
54 C3H4N	C7H13N3O3	C7H10N2O3	C7H11N3O2	C7H9N3O	C6H10N2O	C3H6N2O2	C2H4N2	C2H3N	C2HN	CH3N	CHN		CH2	H2

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