ACCESSION: MSBNK-Keio_Univ-KO009084
RECORD_TITLE: Z-Gly-Pro; LC-ESI-IT; MS3; m/z: 307/263; [M+H]+
DATE: 2011.12.05 (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
COMMENT: [MS2] KO009083

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$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70/0.80

MS$FOCUSED_ION: PRECURSOR_M/Z 307/263
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-014i-1900000000-5b353004f33f8fe2a043
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  91.1 10340.97 259
  92.7 5.81 1
  114.1 101.19 3
  116.1 39917.62 999
  116.7 2.81 1
  119.4 42.29 1
  120.1 10272.29 257
  125.1 326.11 8
  127.1 407.69 10
  143.0 17.67 1
  153.0 35.19 1
  155.1 340.78 9
  160.2 4.19 1
  166.0 1875.62 47
  171.0 748.09 19
  185.0 22.33 1
  189.1 5.24 1
  206.1 630.23 16
  217.1 351.59 9
  235.1 24.86 1
  245.2 53.38 1
  263.1 46.76 1
//