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MassBank Record: KO002025

Z-Gly-Pro; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO002025
RECORD_TITLE: Z-Gly-Pro; 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 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 30 V

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

PK$SPLASH: splash10-0udi-0900000000-24d6eb27109f669ae693
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  42.200 2529705.5 85
  59.200 232673.5 8
  68.800 24752.5 1
  77.100 519802.5 18
  84.300 1094060.5 37
  99.000 123762.5 4
  105.100 94059.5 3
  106.900 2341586.5 79
  113.300 39604.0 1
  113.900 5361391.5 181
  123.200 1163367.5 39
  124.900 732674.0 25
  125.700 34653.5 1
  132.700 19802.0 1
  135.400 29703.0 1
  141.200 158416.0 5
  151.000 465347.0 16
  153.100 29648544.5 999
  154.100 49505.0 2
  163.800 49505.0 2
  179.000 128713.0 4
  197.400 2821785.0 95
  245.300 84158.5 3
  305.200 19802.0 1
//

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