ACCESSION: MSBNK-Keio_Univ-KO004281
RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0bt9-0469000000-9bb2a3272a1e82a73dda
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  90.900 79208.0 19
  104.900 9901.0 2
  108.700 14851.5 4
  116.200 64356.5 16
  152.200 64356.5 16
  153.000 94059.5 23
  154.800 9901.0 2
  177.400 643565.0 157
  178.400 316832.0 77
  187.000 559406.5 136
  187.900 99010.0 24
  199.300 103960.5 25
  217.200 118812.0 29
  234.200 14851.5 4
  249.100 29703.0 7
  257.200 29703.0 7
  263.200 2366339.0 577
  289.400 79208.0 19
  290.200 173267.5 42
  307.600 4099014.0 999
//