MassBank Record: KO000360



 N-alpha-t-Boc-asparagine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000360
RECORD_TITLE: N-alpha-t-Boc-asparagine; 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 B023

CH$NAME: N-a-t-Boc-asparagine CH$NAME: N-alpha-Boc-L-asparagine CH$NAME: Boc-Asn CH$NAME: N-alpha-t-Boc-asparagine CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H16N2O5 CH$EXACT_MASS: 232.10592 CH$SMILES: NC(=O)C[C@@H](C(O)=O)NC(=O)OC(C)(C)C CH$IUPAC: InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)/t5-/m0/s1 CH$LINK: CAS 7536-55-2 CH$LINK: KEGG C01410 CH$LINK: NIKKAJI J307.866C CH$LINK: PUBCHEM SID:4598
AC$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$FOCUSED_ION: PRECURSOR_M/Z 231 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9000000000-d81dc4b230b048ac48ea PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 42.200 1287130.0 187 57.500 24752.5 4 59.100 227723.0 33 68.300 9901.0 1 70.000 400990.5 58 70.400 108911.0 16 71.100 59406.0 9 78.900 6871294.0 999 95.300 24752.5 4 96.000 64356.5 9 96.800 693070.0 101 113.000 717822.5 104 //