ACCESSION: MSBNK-Keio_Univ-KO002027
RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-03di-5900000000-d47a328b1b340e1d6676
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  42.200 2386141.0 318
  56.000 153465.5 20
  59.100 168317.0 22
  67.800 89109.0 12
  70.300 202970.5 27
  77.100 2113863.5 281
  78.800 103960.5 14
  80.300 19802.0 3
  83.200 84158.5 11
  84.100 1153466.5 154
  86.100 49505.0 7
  95.400 44554.5 6
  96.300 34653.5 5
  99.300 64356.5 9
  104.700 84158.5 11
  107.200 613862.0 82
  112.100 54455.5 7
  114.000 7504958.0 999
  122.900 653466.0 87
  124.800 163366.5 22
  125.100 158416.0 21
  151.400 400990.5 53
  153.100 1297031.0 173
  179.000 44554.5 6
//