MassBank Record: MSBNK-Keio_Univ-KO003308
ACCESSION: MSBNK-Keio_Univ-KO003308
RECORD_TITLE: Lysinamide; LC-ESI-QQ; MS2; CE:20 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 L027
CH$NAME: Lysinamide
CH$NAME: L-Lysinamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H15N3O
CH$EXACT_MASS: 145.12151
CH$SMILES: NCCCC[C@H](N)C(N)=O
CH$IUPAC: InChI=1S/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/t5-/m0/s1
CH$LINK: KEGG
C01930
CH$LINK: PUBCHEM
SID:5036
CH$LINK: INCHIKEY
HKXLAGBDJVHRQG-YFKPBYRVSA-N
CH$LINK: COMPTOX
DTXSID50186101
AC$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$FOCUSED_ION: PRECURSOR_M/Z 146
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9300000000-cdd41a00b44838dbf1e3
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
50.000 79208.0 6
55.300 69307.0 5
57.100 39604.0 3
61.200 49505.0 4
69.000 158416.0 12
71.000 212871.5 17
72.200 108911.0 9
73.200 64356.5 5
78.200 19802.0 2
82.100 49505.0 4
83.400 663367.0 52
84.200 12688131.5 999
85.300 44554.5 4
86.200 59406.0 5
87.300 227723.0 18
91.300 99010.0 8
93.000 222772.5 18
95.500 24752.5 2
100.500 24752.5 2
101.000 64356.5 5
111.300 698020.5 55
112.100 599010.5 47
114.000 262376.5 21
117.800 9901.0 1
128.100 242574.5 19
129.100 2504953.0 197
146.300 579208.5 46
//
system version 2.2.6-SNAPSHOT