MassBank:KOX00655p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N8-Acetylspermidine

IDs and Links
MassBank	N8-Acetylspermidine
CAS	34450-15-2
Keio ID	A112+

Top 10 Similar Molecules of N8-Acetylspermidine

Ranking	About scoring
KOX00654p Score:35.69 KOX00861p Score:33.44 KOX00862p Score:23.52 KOX00641p Score:19.75 KOX00478p Score:16.95 KOX00343p Score:16.57 KOX00648p Score:15.69 KOX00079p Score:12.93 KOX00830p Score:12.84 KOX00818p Score:11.23	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
C9H22N3O (188)	C9H19N2O (171)	f
C9H22N3O (188)	C9H20N3 (170)	i
C9H22N3O (188)	C7H20N3 (146)	e
C9H22N3O (188)	C7H15N2O (143)	a
C9H22N3O (188)	C6H15N2O (131)	g
C9H22N3O (188)	C7H17N2 (129)	e,-NH3
C9H22N3O (188)	C6H12NO (114)	c
C9H22N3O (188)	C5H10NO (100)	h
C9H22N3O (188)	C3H8N (58)	b
C6H12NO (114)	C4H10N (72)	IT
C7H14N (112)	C5H10N (84)	IT
C7H14N (112)	C4H8N (70)	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。

KOX00655p	188 C9H22N3O	171 C9H19N2O	170 C9H20N3	146 C7H20N3	143 C7H15N2O	131 C6H15N2O	129 C7H17N2	114 C6H12NO	112 C7H14N	100 C5H10NO	84 C5H10N	72 C4H10N	70 C4H8N	58 C3H8N	55 C4H7
188 C9H22N3O
171 C9H19N2O	H3N
170 C9H20N3	H2O
146 C7H20N3	C2H2O		C2
143 C7H15N2O	C2H7N	C2H4
131 C6H15N2O	C3H7N	C3H4			C
129 C7H17N2	C2H5NO	C2H2O	C2H3N	H3N
114 C6H12NO	C3H10N2	C3H7N			CH3N	H3N
112 C7H14N	C2H8N2O	C2H5NO	C2H6N2	H6N2	HNO		H3N
100 C5H10NO	C4H12N2	C4H9N			C2H5N	CH5N		CH2
84 C5H10N	C4H12N2O	C4H9NO	C4H10N2	C2H10N2	C2H5NO	CH5NO	C2H7N	CH2O	C2H4	O
72 C4H10N	C5H12N2O	C5H9NO	C5H10N2	C3H10N2	C3H5NO	C2H5NO	C3H7N	C2H2O	C3H4	CO	C
70 C4H8N	C5H14N2O	C5H11NO	C5H12N2	C3H12N2	C3H7NO	C2H7NO	C3H9N	C2H4O	C3H6	CH2O	CH2	H2
58 C3H8N	C6H14N2O	C6H11NO	C6H12N2	C4H12N2	C4H7NO	C3H7NO	C4H9N	C3H4O	C4H6	C2H2O	C2H2	CH2	C
55 C4H7	C5H15N3O	C5H12N2O	C5H13N3	C3H13N3	C3H8N2O	C2H8N2O	C3H10N2	C2H5NO	C3H7N	CH3NO	CH3N	H3N	HN

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