Ojima:KOX00251p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Formiminoaspartate

IDs and Links
MassBank	Formiminoaspartate
CAS
Keio ID	F025+

Top 10 Similar Molecules of Formiminoaspartate

Ranking	About scoring
F025+ Score:74 A039+ Score:19 A017+ Score:19 A016+ Score:19 F034+ Score:16.47 P032+ Score:14.15 A155+ Score:13.73 A064+ Score:13.46 C015+ Score:13.46 G039+ Score:10.92	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 C5H9N2O4:   F025+   Pages Related to Peak C5H7N2O3:   F025+   Pages Related to Peak C4H6NO3:   A016+  A017+  A039+  F025+  P032+   Pages Related to Peak C4H7N2O2:   F025+  G037+  P039+  G039+  M115+  P061+   Pages Related to Peak C4H9N2O:   F025+  D038+   Pages Related to Peak C4H3O3:   F025+   Pages Related to Peak C4H5N2O:   A196+  B020+  F025+  G039+  P098+   Pages Related to Peak C3H6NO2:   A016+  A017+  A039+  C015+  F025+  S002+  X004+  A064+  C044+  D037+  P060+   Pages Related to Peak C2H4NO2:   A016+  A017+  A032+  A039+  A065+  A127+  A140+  B018+  C015+  C094+  F025+  F034+  G018+  G061+  H002+  H048+  H064+  L004+  M003+  M114+  P032+  T003+  T020+  A064+  B026+  D038+  E056+  H050+  K004+   Pages Related to Peak C3H7N2:   F025+  A044+  A203+  H112+  M032+  V020+   Pages Related to Peak C3H4NO:   A016+  A017+  A039+  C015+  F025+  P032+  S002+  A064+  D037+  E008+  P060+  U006+  A155+   Pages Related to Peak C5H9:   A053+  A138+  A145+  E015+  F025+  F034+  G071+  I008+  L003+  N014+  P067+  S013+  T112+  A061+  B090+  C032+  D178+  I063+  L057+  P034+  P206+  P209+  T108+  A155+   Pages Related to Peak C3H7O:   A048+  A135+  B018+  F025+  F034+  G061+  M127+  A224+  I011+  A155+   Pages Related to Peak C3H4N:   A042+  A073+  A093+  A140+  A237+  B007+  B020+  C012+  C208+  D131+  F025+  F034+  H002+  H013+  M042+  M043+  M074+  P055+  P075+  T014+  T015+  T056+  T057+  A044+  C028+  D033+  D087+  D183+  H025+  H058+  H069+  I014+  I053+  M029+  M030+  M076+  M077+  M110+  M124+  M126+  P098+  T027+  T030+  M022+  P042+

Annotations

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	101 C4H9N2O	99 C4H3O3	97 C4H5N2O	88 C3H6NO2	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
101 C4H9N2O	CO3
99 C4H3O3	CH6N2O	CH4N2	H3N
97 C4H5N2O	CH4O3	CH2O2		H2O	H4
88 C3H6NO2	C2H3NO2	C2HNO	CO	CHN
74 C2H4NO2	C3H5NO2	C3H3NO	C2H2O	C2H3N				CH2
71 C3H7N2	C2H2O4	C2O3		CO2	CH2O
70 C3H4NO	C2H5NO3	C2H3NO2	CH2O2	CH3NO	CH5N		CHN	H2O
69 C5H9	N2O4
59 C3H7O	C2H2N2O3	C2N2O2		CN2O	CH2N2
54 C3H4N	C2H5NO4	C2H3NO3	CH2O3	CH3NO2	CH5NO		CHNO	H2O2		H3N	O

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