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MassBank Record: KO002024

Z-Gly-Pro; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002024
RECORD_TITLE: Z-Gly-Pro; 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 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$LINK: PUBCHEM SID:4782
CH$LINK: INCHIKEY ZTUKZKYDJMGJDC-UHFFFAOYSA-N

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 305
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0f6t-0900000000-5cb210a9ae25215c02e4
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  41.700 247525.0 5
  59.100 94059.5 2
  84.300 39604.0 1
  99.100 39604.0 1
  107.200 361386.5 7
  109.500 9901.0 1
  114.000 757426.5 15
  118.600 24752.5 1
  122.700 69307.0 1
  125.100 198020.0 4
  128.000 54455.5 1
  128.900 19802.0 1
  141.000 599010.5 12
  150.700 34653.5 1
  151.900 39604.0 1
  153.000 39376277.0 781
  171.000 19802.0 1
  178.900 19802.0 1
  196.700 2198022.0 44
  197.200 50356486.0 999
  245.700 84158.5 2
  261.600 14851.5 1
  305.500 1212872.5 24
//

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