MassBank:KOX00126p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Biotin

IDs and Links
MassBank	Biotin
CAS	58-85-5
Keio ID	B020+

Top 10 Similar Molecules of Biotin

Ranking	About scoring
KOX00770p Score:16.65 KOX00645p Score:16.65 KOX00784p Score:13.36 KOX00043p Score:13.36 KOX00731p Score:12.72 KOX00865p Score:10.07 KOX00834p Score:9.88 KOX00807p Score:9.88 KOX00725p Score:9.88 KOX00703p Score:9.88	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
C10H17N2O3S (245)	C10H15N2O2S (227)	-H2O
C10H17N2O3S (245)	C9H15N2OS (199)	b
C10H17N2O3S (245)	C4H5N2O (97)	a
C10H15N2O2S (227)	C10H13N2OS (209)	IT
C10H15N2O2S (227)	C9H15N2OS (199)	IT
C10H15N2O2S (227)	C4H5N2O (97)	IT
C10H13N2OS (209)	C10H10NOS (192)	IT
C10H13N2OS (209)	C4H5N2O (97)	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。

KOX00126p	245 C10H17N2O3S	227 C10H15N2O2S	209 C10H13N2OS	199 C9H15N2OS	192 C10H10NOS	184 C9H14NOS	166 C9H12NS	149 C9H9S	139 C8H11S	125 C7H9S	123 C7H7S	97 C4H5N2O	91 C7H7	79 C6H7	77 C6H5	67 C5H7	55 C4H7	54 C3H4N
245 C10H17N2O3S
227 C10H15N2O2S	H2O
209 C10H13N2OS	H4O2	H2O
199 C9H15N2OS	CH2O2	CO
192 C10H10NOS	H7NO2	H5NO	H3N
184 C9H14NOS	CH3NO2	CHNO		HN
166 C9H12NS	CH5NO3	CH3NO2	CHNO	H3NO		H2O
149 C9H9S	CH8N2O3	CH6N2O2	CH4N2O	H6N2O	CHNO	H5NO	H3N
139 C8H11S	C2H6N2O3	C2H4N2O2	C2H2N2O	CH4N2O		CH3NO	CHN
125 C7H9S	C3H8N2O3	C3H6N2O2	C3H4N2O	C2H6N2O	C3HNO	C2H5NO	C2H3N	C2	CH2
123 C7H7S	C3H10N2O3	C3H8N2O2	C3H6N2O	C2H8N2O	C3H3NO	C2H7NO	C2H5N	C2H2	CH4	H2
97 C4H5N2O	C6H12O2S	C6H10OS	C6H8S	C5H10S
91 C7H7	C3H10N2O3S	C3H8N2O2S	C3H6N2OS	C2H8N2OS	C3H3NOS	C2H7NOS	C2H5NS	C2H2S	CH4S	H2S	S
79 C6H7	C4H10N2O3S	C4H8N2O2S	C4H6N2OS	C3H8N2OS	C4H3NOS	C3H7NOS	C3H5NS	C3H2S	C2H4S	CH2S	CS		C
77 C6H5	C4H12N2O3S	C4H10N2O2S	C4H8N2OS	C3H10N2OS	C4H5NOS	C3H9NOS	C3H7NS	C3H4S	C2H6S	CH4S	CH2S		CH2	H2
67 C5H7	C5H10N2O3S	C5H8N2O2S	C5H6N2OS	C4H8N2OS	C5H3NOS	C4H7NOS	C4H5NS	C4H2S	C3H4S	C2H2S	C2S		C2	C
55 C4H7	C6H10N2O3S	C6H8N2O2S	C6H6N2OS	C5H8N2OS	C6H3NOS	C5H7NOS	C5H5NS	C5H2S	C4H4S	C3H2S	C3S		C3	C2		C
54 C3H4N	C7H13NO3S	C7H11NO2S	C7H9NOS	C6H11NOS	C7H6OS	C6H10OS	C6H8S					CHNO

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