ACCESSION: MSBNK-Keio_Univ-KO002249
RECORD_TITLE: Arginine ethyl ester; 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 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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 203
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udl-5970000000-30edc20b975d0d4c8d14
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  59.300 39604.0 5
  60.000 915842.5 114
  63.100 222772.5 28
  69.100 460396.5 57
  70.100 3272280.5 409
  73.100 138614.0 17
  76.800 148515.0 19
  81.000 74257.5 9
  82.200 14851.5 2
  83.100 376238.0 47
  83.500 64356.5 8
  90.600 153465.5 19
  93.400 9901.0 1
  96.200 19802.0 2
  98.200 163366.5 20
  99.200 44554.5 6
  107.000 34653.5 4
  110.000 39604.0 5
  112.200 495050.0 62
  115.900 193069.5 24
  126.200 445545.0 56
  128.300 14851.5 2
  129.400 19802.0 2
  139.100 59406.0 7
  140.900 59406.0 7
  142.400 44554.5 6
  142.800 202970.5 25
  144.200 4549509.5 568
  157.200 267327.0 33
  157.900 485149.0 61
  169.200 138614.0 17
  170.900 39604.0 5
  175.200 54455.5 7
  185.300 19802.0 2
  186.100 2059408.0 257
  203.300 8000008.0 999
  247.500 49505.0 6
//