MassBank:KOX00034p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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p-Aminobenzoate

IDs and Links
MassBank	p-Aminobenzoate
CAS	150-13-0
Keio ID	A043+

Top 10 Similar Molecules of p-Aminobenzoate

Ranking	About scoring
KOX00886p Score:33.01 KOX00840p Score:33.01 KOX00673p Score:29.4 KOX00006p Score:29.4 KOX00491p Score:21.43 KOX00788p Score:20.63 KOX00697p Score:19.75 KOX00221p Score:19.68 KOX00789p Score:19.6 KOX00231p Score:19.6	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。

Links

Annotations

Precursor	Product	Comments
C7H8NO2 (138)	C7H6NO (120)	b
C7H8NO2 (138)	C6H8N (94)	a
C7H8NO2 (138)	C6H7N (93)	a,rad.
C7H8NO2 (138)	C6H6N (92)	a
C7H8NO2 (138)	C5H4N (78)	d

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。

KOX00034p	138 C7H8NO2	120 C7H6NO	94 C6H8N	93 C6H7N	92 C6H6N	78 C5H4N	77 C6H5	65 C5H5	51 C4H3
138 C7H8NO2
120 C7H6NO	H2O
94 C6H8N	CO2
93 C6H7N	CHO2		H
92 C6H6N	CH2O2	CO	H2	H
78 C5H4N	C2H4O2	C2H2O	CH4	CH3	CH2
77 C6H5	CH3NO2	CHNO	H3N	H2N	HN
65 C5H5	C2H3NO2	C2HNO	CH3N	CH2N	CHN		C
51 C4H3	C3H5NO2	C3H3NO	C2H5N	C2H4N	C2H3N	CHN	C2H2	CH2

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