MassBank Record: MSBNK-Keio_Univ-KO002906
ACCESSION: MSBNK-Keio_Univ-KO002906
RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID F034
CH$NAME: N-Formylmethionine
CH$NAME: N-Formyl-L-Methionine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H11NO3S
CH$EXACT_MASS: 177.04596
CH$SMILES: [H]C(=O)N[C@@H](CCSC)C(O)=O
CH$IUPAC: InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
CH$LINK: KEGG
C03145
CH$LINK: INCHIKEY
PYUSHNKNPOHWEZ-YFKPBYRVSA-N
CH$LINK: COMPTOX
DTXSID80863357
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 178
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0gx0-9600000000-d8211d4ecddfb71549d2
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
45.600 9901.0 12
55.000 99010.0 120
56.000 168317.0 203
59.100 227723.0 275
60.900 336634.0 407
68.700 74257.5 90
71.100 39604.0 48
73.800 108911.0 132
84.100 826733.5 999
86.800 118812.0 144
88.300 29703.0 36
101.100 801981.0 969
102.200 39604.0 48
114.900 138614.0 167
128.100 108911.0 132
129.200 64356.5 78
130.300 39604.0 48
143.300 44554.5 54
146.300 148515.0 179
149.400 14851.5 18
161.300 113861.5 138
162.900 24752.5 30
//
system version 2.2.8-SNAPSHOT