MassBank:KOX00664p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Deisopropylatrazine

IDs and Links
MassBank	Deisopropylatrazine
CAS	1007-28-9
Keio ID	A203+

Top 10 Similar Molecules of Deisopropylatrazine

Ranking	About scoring
KOX00781p Score:11.77 KOX00672p Score:9.51 KOX00894p Score:8.82 KOX00721p Score:8.82 KOX00876p Score:5.53 KOX00780p Score:5.53 KOX00754p Score:5.53 KOX00639p Score:5.53 KOX00596p Score:5.53 KOX00251p Score:5.53	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
C5H9ClN5 (174)	C3H5ClN5 (146)	f
C5H9ClN5 (174)	C5H8N5 (138)	e
C5H9ClN5 (174)	C4H7ClN3 (132)	b[d]
C5H9ClN5 (174)	C2H3ClN3 (104)	a
C5H9ClN5 (174)	CH4ClN2 (79)	g
C5H9ClN5 (174)	C3H7N2 (71)	c,-NH3
C5H9ClN5 (174)	CHClN (62)	a+g[b+g]
C3H5ClN5 (146)	C3H4N5 (110)	IT
C3H5ClN5 (146)	C2H3ClN3 (104)	IT
C3H5ClN5 (146)	CH4ClN2 (79)	IT
C3H5ClN5 (146)	C2H2N3 (68)	IT
C4H7ClN3 (132)	C2H3ClN3 (104)	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。

KOX00664p	174 C5H9ClN5	146 C3H5ClN5	138 C5H8N5	132 C4H7ClN3	110 C3H4N5	104 C2H3ClN3	96 C4H6N3	90 C3H5ClN	79 CH4ClN2	71 C3H7N2	68 C2H2N3	62 CHClN	55 C4H7
174 C5H9ClN5
146 C3H5ClN5	C2H4
138 C5H8N5	HCl
132 C4H7ClN3	CH2N2
110 C3H4N5	C2H5Cl	HCl	C2H4
104 C2H3ClN3	C3H6N2	CH2N2		C2H4
96 C4H6N3	CH3ClN2		CH2N2	HCl
90 C3H5ClN	C2H4N4	N4		CH2N2
79 CH4ClN2	C4H5N3	C2HN3		C3H3N
71 C3H7N2	C2H2ClN3		C2HN3	CClN
68 C2H2N3	C3H7ClN2	CH3ClN2	C3H6N2	C2H5Cl	CH2N2	HCl	C2H4
62 CHClN	C4H8N4	C2H4N4		C3H6N2		CH2N2		C2H4	H3N
55 C4H7	CH2ClN5		CHN5	ClN3

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