MassBank:KOX00371p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Isatin

IDs and Links
MassBank	Isatin
CAS	91-56-5
Keio ID	I019+

Top 10 Similar Molecules of Isatin

Ranking	About scoring
KOX00840p Score:30.4 KOX00118p Score:19.07 KOX00886p Score:17.13 KOX00673p Score:17.13 KOX00034p Score:17.13 KOX00006p Score:17.13 KOX00766p Score:14.07 KOX00628p Score:13.29 KOX00828p Score:12.44 KOX00789p Score:12.44	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
C8H6NO2 (148)	C8H4NO (130)	-H2O
C8H6NO2 (148)	C7H6NO (120)	c[d]
C8H6NO2 (148)	C6H6N (92)	a
C8H6NO2 (148)	C6H5 (77)	b
C8H6NO2 (148)	C4H3 (51)	h

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。

KOX00371p	148 C8H6NO2	130 C8H4NO	120 C7H6NO	102 C7H4N	92 C6H6N	77 C6H5	65 C5H5	51 C4H3
148 C8H6NO2
130 C8H4NO	H2O
120 C7H6NO	CO
102 C7H4N	CH2O2	CO	H2O
92 C6H6N	C2O2		CO
77 C6H5	C2HNO2		CHNO		HN
65 C5H5	C3HNO2		C2HNO		CHN	C
51 C4H3	C4H3NO2	C4HNO	C3H3NO	C3HN	C2H3N	C2H2	CH2

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