ACCESSION: MSBNK-Keio_Univ-KO000724
RECORD_TITLE: E-64; 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 E015

CH$NAME: E-64
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₇N₅O₅
CH$EXACT_MASS: 357.20122
CH$SMILES: NC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)C(O1)C(C(O)=O)1
CH$IUPAC: InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)
CH$LINK: CAS 66701-25-5
CH$LINK: CHEBI 30270
CH$LINK: CHEMPDB E64
CH$LINK: KEGG C01341
CH$LINK: NIKKAJI J22.188K
CH$LINK: PUBCHEM SID:4546
CH$LINK: INCHIKEY LTLYEAJONXGNFG-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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 356
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0a4i-0009000000-ea40adc968492cd43266
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  86.900 39604.0 4
  141.000 54455.5 5
  145.700 39604.0 4
  192.500 64356.5 6
  200.700 14851.5 1
  209.200 49505.0 5
  219.900 29703.0 3
  226.000 524753.0 52
  245.000 143564.5 14
  266.500 29703.0 3
  268.100 79208.0 8
  274.200 74257.5 7
  274.700 9901.0 1
  275.900 19802.0 2
  283.900 39604.0 4
  294.000 29703.0 3
  294.800 44554.5 4
  296.400 19802.0 2
  312.500 247525.0 25
  318.000 29703.0 3
  319.900 44554.5 4
  320.600 74257.5 7
  320.900 19802.0 2
  338.300 128713.0 13
  356.700 10064366.5 999
//