MassBank Record: MSBNK-Keio_Univ-KO003335
ACCESSION: MSBNK-Keio_Univ-KO003335
RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M003
CH$NAME: Met
CH$NAME: L-2-Amino-4methylthiobutyric acid
CH$NAME: L-Methionine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H11NO2S
CH$EXACT_MASS: 149.05105
CH$SMILES: N[C@@H](CCSC)C(O)=O
CH$IUPAC: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
CH$LINK: CAS
63-68-3
CH$LINK: CHEBI
16643
CH$LINK: CHEMPDB MET
CH$LINK: KEGG
C00073
CH$LINK: NIKKAJI
J9.174J
CH$LINK: PUBCHEM
SID:3373
CH$LINK: INCHIKEY
FFEARJCKVFRZRR-BYPYZUCNSA-N
CH$LINK: COMPTOX
DTXSID5040548
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 150
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-9000000000-e133c47b0efe4992589f
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
38.800 19802.0 2
40.700 79208.0 8
43.100 64356.5 6
44.400 74257.5 7
44.900 326733.0 32
45.700 64356.5 6
53.100 79208.0 8
55.300 237624.0 23
56.100 4762381.0 460
57.100 94059.5 9
59.000 148515.0 14
61.000 10341594.5 999
69.100 79208.0 8
70.600 29703.0 3
72.000 188119.0 18
73.000 94059.5 9
73.900 871288.0 84
75.200 74257.5 7
78.800 54455.5 5
84.200 133663.5 13
85.300 103960.5 10
86.000 59406.0 6
87.200 282178.5 27
90.900 118812.0 11
102.300 64356.5 6
104.300 24752.5 2
105.000 29703.0 3
116.800 103960.5 10
120.000 9901.0 1
//
system version 2.2.8-SNAPSHOT