Ojima:KOX00313p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Homocarnosine

IDs and Links
MassBank	Homocarnosine
CAS	3650-73-5
Keio ID	H013+

Top 10 Similar Molecules of Homocarnosine

Ranking	About scoring
H013+ Score:58.25 H002+ Score:40.73 A073+ Score:40.73 C012+ Score:35.35 A140+ Score:28.8 H058+ Score:24.69 H069+ Score:21.72 M077+ Score:19.31 A093+ Score:19.31 M076+ Score:16.33	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 C10H17N4O3:   A140+  H013+   Pages Related to Peak C10H14N3O3:   A140+  H013+   Pages Related to Peak C10H15N4O2:   H013+   Pages Related to Peak C6H10N3O2:   A073+  C012+  H002+  H013+  [[Ojima:TestData_Bensulfuron-methyl|]]   Pages Related to Peak C5H8N3:   A073+  C012+  G117+  H002+  H013+  C028+  T027+   Pages Related to Peak C5H7N2:   A073+  A093+  A140+  C012+  C208+  D131+  H002+  H013+  M035+  P068+  U011+  B026+  H058+  H069+  I051+  M076+  M077+  P105+   Pages Related to Peak C5H5N2:   A073+  C012+  H002+  H013+  I066+  U011+  D183+   Pages Related to Peak C4H8NO:   A002+  A138+  A191+  C013+  D064+  G032+  G065+  H048+  I015+  R016+  A052+  A194+  D106+  G046+  G051+  H004+  M082+  T098+   Pages Related to Peak C4H7N2:   A073+  A093+  A140+  C012+  D131+  E011+  G117+  H002+  H013+  C028+  E007+  H058+  H069+  I053+  M029+  M076+  M077+  M124+  P084+  T027+   Pages Related to Peak C4H6N2:   A073+  H002+  H058+  H069+  I053+  M033+   Pages Related to Peak C4H5N2:   A073+  A093+  A140+  A237+  C012+  C077+  D055+  D131+  H002+  H013+  M035+  M042+  M074+  P075+  T014+  T015+  T029+  T056+  T057+  C028+  D183+  H025+  H058+  H069+  I014+  I053+  M029+  M030+  M033+  M076+  M077+  M126+  P098+  T027+  T033+  X012+  M022+  P042+   Pages Related to Peak C4H5O:   A002+  A007+  A018+  A037+  A122+  A133+  A191+  G003+  G015+  G032+  G062+  G065+  H013+  M080+  O015+  P067+  P075+  R016+  S049+  T014+  A194+  C043+  D069+  G021+  G046+  G051+  M011+  M024+  M081+  M082+  M110+  P081+  U006+   Pages Related to Peak C4H6N:   A050+  A065+  A073+  A093+  A140+  C012+  C013+  D131+  E011+  H002+  H013+  H027+  H048+  P003+  P048+  R016+  A052+  A194+  D033+  H004+  H058+  H069+  I017+  M076+  M077+  T061+  M022+   Pages Related to Peak C3H6N:   A031+  A050+  A065+  A073+  A093+  A110+  A127+  A135+  A174+  C012+  C094+  E005+  E011+  E033+  F034+  G005+  G018+  G019+  G032+  G043+  H002+  H013+  H064+  H073+  I008+  L004+  M003+  M035+  M114+  O008+  P048+  P059+  P092+  T010+  T015+  T020+  V001+  A020+  A046+  A069+  A194+  B044+  B047+  C028+  C043+  C044+  D033+  D036+  D038+  D087+  E007+  E056+  G006+  H003+  H058+  I053+  I063+  L027+  M025+  M029+  M077+  M124+  M126+  M169+  P034+  P046+  P074+  P192+  T022+  T024+  T027+  T061+  T098+  T122+  D030+  A204+  M022+

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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。

KOX00313p	241 C10H17N4O3	224 C10H14N3O3	223 C10H15N4O2	156 C6H10N3O2	110 C5H8N3	95 C5H7N2	93 C5H5N2	86 C4H8NO	83 C4H7N2	82 C4H6N2	81 C4H5N2	69 C4H5O	68 C4H6N	56 C3H6N
241 C10H17N4O3
224 C10H14N3O3	H3N
223 C10H15N4O2	H2O
156 C6H10N3O2	C4H7NO	C4H4O	C4H5N
110 C5H8N3	C5H9NO3	C5H6O3	C5H7NO2	CH2O2
95 C5H7N2	C5H10N2O3	C5H7NO3	C5H8N2O2	CH3NO2	HN
93 C5H5N2	C5H12N2O3	C5H9NO3	C5H10N2O2	CH5NO2	H3N	H2
86 C4H8NO	C6H9N3O2	C6H6N2O2	C6H7N3O	C2H2N2O
83 C4H7N2	C6H10N2O3	C6H7NO3	C6H8N2O2	C2H3NO2	CHN	C
82 C4H6N2	C6H11N2O3	C6H8NO3	C6H9N2O2	C2H4NO2	CH2N	CH			H
81 C4H5N2	C6H12N2O3	C6H9NO3	C6H10N2O2	C2H5NO2	CH3N	CH2	C		H2	H
69 C4H5O	C6H12N4O2	C6H9N3O2	C6H10N4O	C2H5N3O				H3N
68 C4H6N	C6H11N3O3	C6H8N2O3	C6H9N3O2	C2H4N2O2	CH2N2	CHN		H2O	HN	N
56 C3H6N	C7H11N3O3	C7H8N2O3	C7H9N3O2	C3H4N2O2	C2H2N2	C2HN		CH2O	CHN	CN			C

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