Ojima:KOX00051p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Acetylmethionine

IDs and Links
MassBank	N-Acetylmethionine
CAS	65-82-7
Keio ID	A065+

Top 10 Similar Molecules of N-Acetylmethionine

Ranking	About scoring
A065+ Score:72.62 M003+ Score:39.58 F034+ Score:39.58 R016+ Score:17.12 A020+ Score:12.69 A110+ Score:12.1 A031+ Score:11.66 E056+ Score:10.9 D038+ Score:10.9 T020+ Score:10.9	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 C7H14NO3S:   A065+   Pages Related to Peak C7H12NO2S:   A065+   Pages Related to Peak C5H12NO2S:   A065+  F034+  M003+  A020+   Pages Related to Peak C6H12NOS:   A065+   Pages Related to Peak C6H10NO3:   A031+  A065+  A110+  A122+  A191+  G065+  M067+  R016+  G021+  G046+  G051+  M081+  M082+   Pages Related to Peak C5H9O2S:   A065+  F034+  M003+   Pages Related to Peak C4H10NS:   A065+  F034+  M003+   Pages Related to Peak C4H8NO2:   A031+  A065+  C094+  E005+  F034+  G005+  G018+  G019+  G043+  M003+  M114+  O008+  P092+  R016+  T010+  T020+  A020+  A239+  B090+  D038+  D061+  D183+  E056+  G006+  H003+  M025+  A204+   Pages Related to Peak C5H8NO:   A065+  A110+  A122+  A191+  B019+  G065+  M067+  M159+  R016+  B026+  C043+  G021+  G046+  G051+  M081+  M082+  S044+   Pages Related to Peak C4H7S:   A065+  F034+  M003+   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 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 C2H5S:   A059+  A065+  C208+  F034+  M003+  A170+  D067+  T058+   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+

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。

KOX00051p	192 C7H14NO3S	174 C7H12NO2S	150 C5H12NO2S	146 C6H12NOS	144 C6H10NO3	133 C5H9O2S	104 C4H10NS	102 C4H8NO2	98 C5H8NO	87 C4H7S	74 C2H4NO2	68 C4H6N	61 C2H5S	56 C3H6N
192 C7H14NO3S
174 C7H12NO2S	H2O
150 C5H12NO2S	C2H2O	C2
146 C6H12NOS	CH2O2	CO
144 C6H10NO3	CH4S
133 C5H9O2S	C2H5NO	C2H3N	H3N
104 C4H10NS	C3H4O3	C3H2O2	CH2O2	C2H2O
102 C4H8NO2	C3H6OS	C3H4S	CH4S		C2H2O
98 C5H8NO	C2H6O2S	C2H4OS	H4OS	CH4S	CH2O2
87 C4H7S	C3H7NO3	C3H5NO2	CH5NO2	C2H5NO		CH2O2	H3N
74 C2H4NO2	C5H10OS	C5H8S	C3H8S		C4H6O			C2H4
68 C4H6N	C3H8O3S	C3H6O2S	CH6O2S	C2H6OS	C2H4O3		H4S	H2O2	CH2O
61 C2H5S	C5H9NO3	C5H7NO2	C3H7NO2	C4H7NO		C3H4O2	C2H5N			C2H2
56 C3H6N	C4H8O3S	C4H6O2S	C2H6O2S	C3H6OS	C3H4O3		CH4S	CH2O2	C2H2O			C

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