MassBank:KOX00890p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Trifluoperazine

IDs and Links
MassBank	Trifluoperazine
CAS	117-89-5
Keio ID	T122+

Top 10 Similar Molecules of Trifluoperazine

Ranking	About scoring
KOX00648p Score:27.12 KOX00873p Score:10.06 KOX00655p Score:7.98 KOX00868p Score:7.84 KOX00811p Score:7.84 KOX00766p Score:7.84 KOX00647p Score:7.84 KOX00912p Score:7.52 KOX00900p Score:7.13 KOX00769p Score:7.13	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
C21H25F3N3S (408)	C16H13F3NS (308)	c
C21H25F3N3S (408)	C14H9F3NS (280)	d
C21H25F3N3S (408)	C8H17N2 (141)	b
C21H25F3N3S (408)	C6H13N2 (113)	a
C8H17N2 (141)	C6H13N2 (113)	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。

KOX00890p	408 C21H25F3N3S	368 C21H23FN3S	308 C16H13F3NS	280 C14H9F3NS	248 C14H9F3N	141 C8H17N2	113 C6H13N2	98 C5H10N2	94 C6H8N	84 C5H10N	70 C4H8N	56 C3H6N
408 C21H25F3N3S
368 C21H23FN3S	H2F2
308 C16H13F3NS	C5H12N2
280 C14H9F3NS	C7H16N2		C2H4
248 C14H9F3N	C7H16N2S		C2H4S	S
141 C8H17N2	C13H8F3NS	C13H6FNS
113 C6H13N2	C15H12F3NS	C15H10FNS				C2H4
98 C5H10N2	C16H15F3NS	C16H13FNS				C3H7	CH3
94 C6H8N	C15H17F3N2S	C15H15FN2S	C10H5F3S	C8HF3S	C8HF3	C2H9N	H5N
84 C5H10N	C16H15F3N2S	C16H13FN2S	C11H3F3S			C3H7N	CH3N	N
70 C4H8N	C17H17F3N2S	C17H15FN2S	C12H5F3S	C10HF3S	C10HF3	C4H9N	C2H5N	CH2N	C2	CH2
56 C3H6N	C18H19F3N2S	C18H17FN2S	C13H7F3S	C11H3F3S	C11H3F3	C5H11N	C3H7N	C2H4N	C3H2	C2H4	CH2

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