MassBank:KOX00251p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Formiminoaspartate

IDs and Links
MassBank	Formiminoaspartate
CAS
Keio ID	F025+

Top 10 Similar Molecules of Formiminoaspartate

Ranking	About scoring
KOX00029p Score:19.38 KOX00014p Score:19.38 KOX00012p Score:19.38 KOX00254p Score:16.66 KOX00701p Score:15.92 KOX00499p Score:14.44 KOX00903p Score:13.94 KOX00646p Score:13.66 KOX00140p Score:13.66 KOX00279p Score:11.77	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
C5H9N2O4 (161)	C5H7N2O3 (143)	-H2O
C5H9N2O4 (161)	C4H7N2O2 (115)	b[d]
C4H7N2O2 (115)	C4H5N2O (97)	IT
C4H7N2O2 (115)	C3H6NO2 (88)	IT
C4H7N2O2 (115)	C3H7N2 (71)	IT
C4H5N2O (97)	C3H4NO (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。

KOX00251p	161 C5H9N2O4	143 C5H7N2O3	116 C4H6NO3	115 C4H7N2O2	105 C3H9N2O2	101 C4H9N2O	99 C4H3O3	97 C4H5N2O	88 C3H6NO2	87 C4H7O2	74 C2H4NO2	71 C3H7N2	70 C3H4NO	69 C5H9	59 C3H7O	54 C3H4N
161 C5H9N2O4
143 C5H7N2O3	H2O
116 C4H6NO3	CH3NO	CHN
115 C4H7N2O2	CH2O2	CO
105 C3H9N2O2	C2O2
101 C4H9N2O	CO3
99 C4H3O3	CH6N2O	CH4N2	H3N
97 C4H5N2O	CH4O3	CH2O2		H2O		H4
88 C3H6NO2	C2H3NO2	C2HNO	CO	CHN	H3N
87 C4H7O2	CH2N2O2	CN2O		N2
74 C2H4NO2	C3H5NO2	C3H3NO	C2H2O	C2H3N	CH5N				CH2
71 C3H7N2	C2H2O4	C2O3		CO2	H2O2	CH2O
70 C3H4NO	C2H5NO3	C2H3NO2	CH2O2	CH3NO	H5NO	CH5N		CHN	H2O
69 C5H9	N2O4
59 C3H7O	C2H2N2O3	C2N2O2		CN2O	H2N2O	CH2N2				CO
54 C3H4N	C2H5NO4	C2H3NO3	CH2O3	CH3NO2	H5NO2	CH5NO		CHNO	H2O2			H3N	O

(pos/neg)<<First Page   (pos/neg)<Previous Page

Next Page>(pos/neg)   Last Page>>(pos/neg)