MassBank Record: MSBNK-Keio_Univ-KO002250
ACCESSION: MSBNK-Keio_Univ-KO002250
RECORD_TITLE: Arginine ethyl ester; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 203
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9100000000-c27881b94ce11c364dd7
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
44.000 19802.0 1
55.000 14851.5 1
60.200 1653467.0 120
62.900 69307.0 5
70.000 13787142.5 999
71.900 49505.0 4
73.100 24752.5 2
74.100 49505.0 4
77.100 74257.5 5
81.100 54455.5 4
85.500 29703.0 2
91.000 212871.5 15
95.100 84158.5 6
97.000 99010.0 7
98.100 391089.5 28
99.200 178218.0 13
101.100 14851.5 1
107.300 49505.0 4
109.200 24752.5 2
112.200 693070.0 50
115.200 24752.5 2
116.100 316832.0 23
117.000 19802.0 1
122.500 19802.0 1
125.600 227723.0 17
129.900 14851.5 1
142.900 178218.0 13
144.000 960397.0 70
157.100 39604.0 3
158.200 396040.0 29
169.300 44554.5 3
185.900 69307.0 5
203.300 39604.0 3
//
system version 2.2.6-SNAPSHOT