MassBank:KOX00654p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N1-Acetylspermine

IDs and Links
MassBank	N1-Acetylspermine
CAS	77928-70-2
Keio ID	A111+

Top 10 Similar Molecules of N1-Acetylspermine

Ranking	About scoring
KOX00655p Score:35.69 KOX00862p Score:23.52 KOX00861p Score:23.52 KOX00343p Score:13.28 KOX00648p Score:11.85 KOX00718p Score:9.69 KOX00079p Score:9.65 KOX00868p Score:8.3 KOX00641p Score:8.26 KOX00661p Score:7.74	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
C12H29N4O (245)	C12H27N4 (227)	m
C12H29N4O (245)	C9H19N2O (171)	c
C12H29N4O (245)	C7H17N2 (129)	n,-NH3
C12H29N4O (245)	C5H10NO (100)	f
C12H29N4O (245)	C3H6NO (72)	h
C9H19N2O (171)	C7H17N2 C7H14N (129)	IT
C9H19N2O (171)	C5H10NO (100)	IT
C9H19N2O (171)	C3H6NO (72)	ITd
C7H17N2 (129)	C7H14N (112)	IT
C7H17N2 (129)	C5H10N (84)	IT
C7H17N2 (129)	C4H10N (72)	IT
C7H17N2 (129)	C3H8N (58)	IT
C7H14N (112)	C5H10N (84)	IT
C5H10NO (100)	C3H6NO (72)	ITd

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。

KOX00654p	245 C12H29N4O	227 C12H27N4	171 C9H19N2O	129 C7H17N2	112 C7H14N	100 C5H10NO	84 C5H10N	72 C4H10N	72 C3H6NO	58 C3H8N
245 C12H29N4O
227 C12H27N4	H2O
171 C9H19N2O	C3H10N2
129 C7H17N2	C5H12N2O	C5H10N2	C2H2O
112 C7H14N	C5H15N3O	C5H13N3	C2H5NO	H3N
100 C5H10NO	C7H19N3		C4H9N
84 C5H10N	C7H19N3O	C7H17N3	C4H9NO	C2H7N	C2H4	O
72 C4H10N	C8H19N3O	C8H17N3	C5H9NO	C3H7N	C3H4	CO	C
72 C3H6NO	C9H23N3		C6H13N			C2H4
58 C3H8N	C9H21N3O	C9H19N3	C6H11NO	C4H9N	C4H6	C2H2O	C2H2	CH2

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