MassBank:KOX00900p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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2,6-Diaminoheptanedioate

IDs and Links
MassBank	2,6-Diaminoheptanedioate
CAS
Keio ID	D030+

Top 10 Similar Molecules of 2,6-Diaminoheptanedioate

Ranking	About scoring
KOX00343p Score:26.58 KOX00811p Score:17.98 KOX00705p Score:14.33 KOX00875p Score:13.43 KOX00769p Score:13.09 KOX00041p Score:12.85 KOX00859p Score:12.62 KOX00809p Score:12.62 KOX00645p Score:12.29 KOX00471p Score:12.29	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
C7H15N2O4 (191)	C7H13N2O3 (173)	d
C7H15N2O4 (191)	C6H13N2O2 (145)	a
C6H10NO2 (128)	C5H8N (82)	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。

KOX00900p	191 C7H15N2O4	173 C7H13N2O3	145 C6H13N2O2	128 C6H10NO2	106 C6H4NO	91 C7H7	84 C5H10N	82 C5H8N	78 C5H4N	77 C6H5	56 C3H6N	55 C4H7	51 C4H3
191 C7H15N2O4
173 C7H13N2O3	H2O
145 C6H13N2O2	CH2O2	CO
128 C6H10NO2	CH5NO2	CH3NO	H3N
106 C6H4NO	CH11NO3	CH9NO2	H9NO	H6O
91 C7H7	H8N2O4	H6N2O3
84 C5H10N	C2H5NO4	C2H3NO3	CH3NO2	CO2
82 C5H8N	C2H7NO4	C2H5NO3	CH5NO2	CH2O2			H2
78 C5H4N	C2H11NO4	C2H9NO3	CH9NO2	CH6O2	CO		H6	H4
77 C6H5	CH10N2O4	CH8N2O3	H8N2O2	H5NO2		CH2
56 C3H6N	C4H9NO4	C4H7NO3	C3H7NO2	C3H4O2			C2H4	C2H2
55 C4H7	C3H8N2O4	C3H6N2O3	C2H6N2O2	C2H3NO2		C3	CH3N	CHN
51 C4H3	C3H12N2O4	C3H10N2O3	C2H10N2O2	C2H7NO2	C2HNO	C3H4	CH7N	CH5N	CHN	C2H2		H4

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