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MassBank Record: KO002026

Z-Gly-Pro; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

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

ACCESSION: KO002026
RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-0ik9-2900000000-54b47a1a587640182ece
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  42.100 3480201.5 353
  56.500 74257.5 8
  59.000 282178.5 29
  68.000 44554.5 5
  69.800 123762.5 13
  76.400 29703.0 3
  77.100 1470298.5 149
  78.900 79208.0 8
  84.200 1861388.0 189
  85.900 14851.5 2
  97.000 94059.5 10
  98.700 44554.5 5
  99.100 103960.5 11
  104.900 188119.0 19
  106.900 1470298.5 149
  112.000 29703.0 3
  114.100 9856445.5 999
  123.000 1826734.5 185
  123.900 54455.5 6
  125.200 574258.0 58
  126.400 19802.0 2
  135.200 24752.5 3
  141.400 44554.5 5
  151.000 772278.0 78
  153.200 8306939.0 842
  178.900 163366.5 17
  197.200 34653.5 4
  245.300 49505.0 5
//

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