Ojima:KOX00029p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Argininosuccinate

IDs and Links
MassBank	Argininosuccinate
CAS
Keio ID	A039+

Top 10 Similar Molecules of Argininosuccinate

Ranking	About scoring
A039+ Score:73.79 A017+ Score:21.3 F025+ Score:15.07 A016+ Score:15.07 P105+ Score:13.06 B026+ Score:13.06 O009+ Score:13.06 P032+ Score:10.22 P060+ Score:9.53 D037+ Score:9.53	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

Page list for each fragment

Pages Related to Peak C10H19N4O6:   A039+   Pages Related to Peak C10H17N4O5:   A039+   Pages Related to Peak C9H16N3O5:   A039+   Pages Related to Peak C9H14N3O4:   A039+  D055+   Pages Related to Peak C5H10N3O4:   A039+   Pages Related to Peak C5H7N2O4:   A039+   Pages Related to Peak C4H8NO4:   A017+  A039+   Pages Related to Peak C5H10NO2:   A032+  A039+  A110+  C013+  M067+  O003+  O009+  P003+  Z003+  B026+  O005+  P105+   Pages Related to Peak C4H6NO3:   A016+  A017+  A039+  F025+  P032+   Pages Related to Peak C3H6NO2:   A016+  A017+  A039+  C015+  F025+  S002+  X004+  A064+  C044+  D037+  P060+   Pages Related to Peak C4H8N:   A032+  A039+  A110+  C013+  G037+  G117+  I008+  L007+  M067+  O003+  O009+  P003+  P055+  Z003+  A036+  A069+  A103+  A112+  B026+  B040+  D033+  G021+  H003+  H097+  O005+  P046+  P054+  P074+  P105+  T021+  T022+  T122+  N044+   Pages Related to Peak C3H4NO:   A016+  A017+  A039+  C015+  F025+  P032+  S002+  A064+  D037+  E008+  P060+  U006+  A155+   Pages Related to Peak CH6N3:   A039+  B019+  E015+  G032+  H073+  M035+  O009+  A103+  A104+  A225+  B010+  B026+  G039+  M032+  P105+  T033+

Annotations

Precursor	Product	Comments
C5H10N3O4 (176)	C5H10NO2* (116)	ITd
C5H10N3O4 (176)	C4H6NO3** (116)	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。

KOX00029p	291 C10H19N4O6	273 C10H17N4O5	246 C9H16N3O5	228 C9H14N3O4	176 C5H10N3O4	159 C5H7N2O4	134 C4H8NO4	116 C5H10NO2	116 C4H6NO3	88 C3H6NO2	70 C4H8N	70 C3H4NO	60 CH6N3
291 C10H19N4O6
273 C10H17N4O5	H2O
246 C9H16N3O5	CH3NO	CHN
228 C9H14N3O4	CH5NO2	CH3NO	H2O
176 C5H10N3O4	C5H9NO2	C5H7NO	C4H6O	C4H4
159 C5H7N2O4	C5H12N2O2	C5H10N2O	C4H9NO	C4H7N	H3N
134 C4H8NO4	C6H11N3O2	C6H9N3O	C5H8N2O	C5H6N2	CH2N2
116 C5H10NO2	C5H9N3O4	C5H7N3O3	C4H6N2O3	C4H4N2O2	N2O2
116 C4H6NO3	C6H13N3O3	C6H11N3O2	C5H10N2O2	C5H8N2O	CH4N2O	CHNO	H2O
88 C3H6NO2	C7H13N3O4	C7H11N3O3	C6H10N2O3	C6H8N2O2	C2H4N2O2	C2HNO2	CH2O2	C2H4	CO
70 C4H8N	C6H11N3O6	C6H9N3O5	C5H8N2O5	C5H6N2O4	CH2N2O4		O4	CH2O2
70 C3H4NO	C7H15N3O5	C7H13N3O4	C6H12N2O4	C6H10N2O3	C2H6N2O3	C2H3NO3	CH4O3	C2H6O	CH2O2	H2O
60 CH6N3	C9H13NO6	C9H11NO5	C8H10O5	C8H8O4	C4H4O4

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