ACCESSION: MSBNK-Keio_Univ-KO009083
RECORD_TITLE: Z-Gly-Pro; LC-ESI-IT; MS2; m/z: 307; [M+H]+
DATE: 2011.05.10 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID Z003

CH$NAME: Z-Gly-Pro
CH$NAME: Z-Gly-Pro-OH
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₈N₂O₅
CH$EXACT_MASS: 306.12157
CH$SMILES: O=C(OCc(c2)cccc2)NCC(=O)N(C1)C(CC1)C(O)=O
CH$IUPAC: InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)
CH$LINK: CAS 1160-54-9
CH$LINK: KEGG C01632
CH$LINK: NIKKAJI J203.419K
CH$LINK: PUBCHEM 4782
CH$LINK: INCHIKEY ZTUKZKYDJMGJDC-UHFFFAOYSA-N

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70

MS$FOCUSED_ION: PRECURSOR_M/Z 307
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-03di-0090000000-193873dc40bf0c9122d4
PK$ANNOTATION: m/z struct. num formula mass
  116.1 1 1 C5H10NO2 116.07115
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  91.1 1392.35 9
  116.1 6086.15 38
  116.7 4.76 1
  120.1 1128.34 7
  126.0 8.24 1
  127.1 10.06 1
  128.0 20.52 1
  141.0 5.81 1
  150.9 20.38 1
  153.1 30.98 1
  154.1 17.81 1
  155.0 87.04 1
  160.0 57.14 1
  165.1 29.47 1
  166.1 500.06 3
  167.2 44.95 1
  171.1 195.21 1
  177.0 14.03 1
  185.1 8.00 1
  187.1 18.41 1
  199.1 1109.53 7
  206.1 280.94 2
  219.2 10.27 1
  222.0 47.73 1
  225.1 32.11 1
  229.2 7.19 1
  233.0 37.79 1
  235.1 4.24 1
  243.2 10.30 1
  245.0 43.63 1
  247.2 6.24 1
  249.1 48.14 1
  261.1 138.26 1
  262.3 185.56 1
  263.1 159662.08 999
  263.9 45.55 1
  265.0 66.93 1
  275.2 175.67 1
  288.4 135.59 1
  289.1 2974.29 19
  304.9 9.73 1
  306.2 467.15 3
  307.3 712.25 4
  351.1 17.84 1
  352.2 5.84 1
//