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MassBank Record: KO004282

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: KO004282
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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 307
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-01ox-6951000000-78eef677699b8a68d321
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  77.100 14851.5 7
  91.000 2004952.5 999
  105.000 232673.5 116
  112.200 59406.0 30
  114.000 19802.0 10
  116.200 821783.0 409
  120.000 371287.5 185
  135.900 19802.0 10
  146.700 9901.0 5
  152.400 44554.5 22
  154.800 19802.0 10
  171.400 29703.0 15
  177.200 475248.0 237
  178.200 188119.0 94
  186.900 99010.0 49
  188.300 99010.0 49
  199.400 143564.5 72
  206.100 59406.0 30
  214.400 14851.5 7
  238.900 34653.5 17
  248.400 19802.0 10
  263.400 1584160.0 789
  307.500 524753.0 261
//

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