MassBank:KOX00433p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Melatonin

IDs and Links
MassBank	Melatonin
CAS	73-31-4
Keio ID	M053+

Top 10 Similar Molecules of Melatonin

Ranking	About scoring
KOX00424p Score:54.82 KOX00798p Score:45.92 KOX00325p Score:41.81 KOX00866p Score:34.26 KOX00604p Score:32.42 KOX00879p Score:31.61 KOX00797p Score:31.61 KOX00377p Score:27.5 KOX00582p Score:22.36 KOX00379p Score:21.64	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
C13H17N2O2 (233)	C13H14NO2 (216)	g
C13H17N2O2 (233)	C11H15N2O (191)	d
C13H17N2O2 (233)	C11H12NO (174)	d,-NH3
C11H12NO (174)	C10H9NO (159)	IT
C11H12NO (174)	C10H9N (143)	IT
C11H12NO (174)	C10H8N (142)	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。

KOX00433p	233 C13H17N2O2	216 C13H14NO2	191 C11H15N2O	174 C11H12NO	159 C10H9NO	158 C10H8NO	143 C10H9N	142 C10H8N	131 C9H9N	130 C9H8N	118 C8H8N	115 C9H7	106 C7H8N	105 C7H7N	91 C7H7	89 C7H5	77 C6H5
233 C13H17N2O2
216 C13H14NO2	H3N
191 C11H15N2O	C2H2O
174 C11H12NO	C2H5NO	C2H2O	H3N
159 C10H9NO	C3H8NO	C3H5O	CH6N	CH3
158 C10H8NO	C3H9NO	C3H6O	CH7N	CH4	H
143 C10H9N	C3H8NO2	C3H5O2	CH6NO	CH3O	O
142 C10H8N	C3H9NO2	C3H6O2	CH7NO	CH4O	HO	O	H
131 C9H9N	C4H8NO2	C4H5O2	C2H6NO	C2H3O	CO		C
130 C9H8N	C4H9NO2	C4H6O2	C2H7NO	C2H4O	CHO	CO	CH	C	H
118 C8H8N	C5H9NO2	C5H6O2	C3H7NO	C3H4O	C2HO	C2O	C2H	C2	CH	C
115 C9H7	C4H10N2O2	C4H7NO2	C2H8N2O	C2H5NO	CH2NO	CHNO	CH2N	CHN	H2N	HN
106 C7H8N	C6H9NO2	C6H6O2	C4H7NO	C4H4O	C3HO	C3O	C3H	C3	C2H	C2	C
105 C7H7N	C6H10NO2	C6H7O2	C4H8NO	C4H5O	C3H2O	C3HO	C3H2	C3H	C2H2	C2H	CH		H
91 C7H7	C6H10N2O2	C6H7NO2	C4H8N2O	C4H5NO	C3H2NO	C3HNO	C3H2N	C3HN	C2H2N	C2HN	CHN	C2	HN	N
89 C7H5	C6H12N2O2	C6H9NO2	C4H10N2O	C4H7NO	C3H4NO	C3H3NO	C3H4N	C3H3N	C2H4N	C2H3N	CH3N	C2H2	H3N	H2N	H2
77 C6H5	C7H12N2O2	C7H9NO2	C5H10N2O	C5H7NO	C4H4NO	C4H3NO	C4H4N	C4H3N	C3H4N	C3H3N	C2H3N	C3H2	CH3N	CH2N	CH2	C

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