MassBank:KOX00254p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Formylmethionine

IDs and Links
MassBank	N-Formylmethionine
CAS
Keio ID	F034+

Top 10 Similar Molecules of N-Formylmethionine

Ranking	About scoring
KOX00406p Score:43.76 KOX00051p Score:40.87 KOX00268p Score:19.72 KOX00251p Score:16.66 KOX00646p Score:16.32 KOX00733p Score:15.75 KOX00529p Score:15.75 KOX00476p Score:15.75 KOX00281p Score:15.75 KOX00270p Score:15.75	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。

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Annotations

Precursor	Product	Comments
C6H12NO3S (178)	C6H10NO2S (160)	-H2O
C6H12NO3S (178)	C5H12NO2S (150)	f
C6H12NO3S (178)	C5H9O2S (133)	g
C6H12NO3S (178)	C5H8NO3 (130)	b
C6H12NO3S (178)	C2H5S (61)	c

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。

KOX00254p	178 C6H12NO3S	160 C6H10NO2S	150 C5H12NO2S	146 C5H8NO2S	133 C5H9O2S	130 C5H8NO3	129 C6H9O3	120 C4H10NOS	104 C4H10NS	102 C4H8NO2	87 C4H7S	84 C4H6NO	74 C2H4NO2	69 C5H9	65 C5H5	61 C2H5S	59 C3H7O	56 C3H6N	54 C3H4N
178 C6H12NO3S
160 C6H10NO2S	H2O
150 C5H12NO2S	CO
146 C5H8NO2S	CH4O	CH2	H4
133 C5H9O2S	CH3NO	CHN	H3N
130 C5H8NO3	CH4S
129 C6H9O3	H3NS
120 C4H10NOS	C2H2O2	C2O	CH2O
104 C4H10NS	C2H2O3	C2O2	CH2O2					O
102 C4H8NO2	C2H4OS	C2H2S	CH4S	CS		CO
87 C4H7S	C2H5NO3	C2H3NO2	CH5NO2	CHNO2	CH2O2			H3NO	H3N
84 C4H6NO	C2H6O2S	C2H4OS	CH6OS	CH2OS		CH2O2		H4S		H2O
74 C2H4NO2	C4H8OS	C4H6S	C3H8S	C3H4S		C3H4O				C2H4
69 C5H9	CH3NO3S	CHNO2S	H3NO2S		O2S		CO3
65 C5H5	CH7NO3S	CH5NO2S	H7NO2S	H3NO2S	H4O2S	H3NO3	CH4O3							H4
61 C2H5S	C4H7NO3	C4H5NO2	C3H7NO2	C3H3NO2	C3H4O2			C2H5NO	C2H5N		C2H2
59 C3H7O	C3H5NO2S	C3H3NOS	C2H5NOS	C2HNOS	C2H2OS	C2HNO2	C3H2O2	CH3NS		CHNO
56 C3H6N	C3H6O3S	C3H4O2S	C2H6O2S	C2H2O2S		C2H2O3		CH4OS	CH4S	CH2O2		CO
54 C3H4N	C3H8O3S	C3H6O2S	C2H8O2S	C2H4O2S		C2H4O3		CH6OS	CH6S	CH4O2		CH2O						H2

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