MassBank Record: MSBNK-Keio_Univ-KO002251
ACCESSION: MSBNK-Keio_Univ-KO002251
RECORD_TITLE: Arginine ethyl ester; 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 A103
CH$NAME: Arginine ethyl ester
CH$NAME: L-arginine ethyl
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18N4O2
CH$EXACT_MASS: 202.14298
CH$SMILES: CCOC(=O)C(N)CCCNC(N)=N
CH$IUPAC: InChI=1S/C8H18N4O2/c1-2-14-7(13)6(9)4-3-5-12-8(10)11/h6H,2-5,9H2,1H3,(H4,10,11,12)
CH$LINK: NIKKAJI
J313.918B
CH$LINK: INCHIKEY
AKGWUHIOEVNNPC-UHFFFAOYSA-N
AC$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$FOCUSED_ION: PRECURSOR_M/Z 203
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-0149a58ef85aba210880
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
55.100 64356.5 5
60.300 1044555.5 78
62.900 49505.0 4
67.800 49505.0 4
68.800 123762.5 9
70.000 13405954.0 999
71.200 49505.0 4
72.800 64356.5 5
81.200 39604.0 3
83.800 29703.0 2
84.600 29703.0 2
87.300 29703.0 2
91.000 89109.0 7
95.000 74257.5 6
97.200 54455.5 4
97.800 222772.5 17
99.000 143564.5 11
100.000 9901.0 1
111.900 202970.5 15
113.800 24752.5 2
115.900 29703.0 2
143.400 74257.5 6
157.300 34653.5 3
174.500 34653.5 3
202.900 14851.5 1
//
system version 2.2.6-SNAPSHOT