MassBank Record: MSBNK-Keio_Univ-KO002905
ACCESSION: MSBNK-Keio_Univ-KO002905
RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 178
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0fc0-2900000000-ca29f2380d125436464f
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
45.700 14851.5 8
50.400 89109.0 50
56.000 108911.0 61
59.000 39604.0 22
61.100 128713.0 72
69.300 153465.5 86
71.300 19802.0 11
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78.600 19802.0 11
82.800 59406.0 33
84.100 475248.0 267
85.300 69307.0 39
87.200 326733.0 184
88.400 34653.5 19
90.100 9901.0 6
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100.800 1094060.5 615
101.900 143564.5 81
104.200 594060.0 334
107.200 49505.0 28
111.200 64356.5 36
115.300 79208.0 45
117.200 49505.0 28
124.800 24752.5 14
125.500 24752.5 14
129.100 1777229.5 999
130.000 504951.0 284
131.900 44554.5 25
133.100 242574.5 136
143.300 64356.5 36
146.200 752476.0 423
150.300 173267.5 97
161.100 292079.5 164
178.400 74257.5 42
//