MassBank Record: KO000356



 N-alpha-t-Boc-asparagine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000356
RECORD_TITLE: N-alpha-t-Boc-asparagine; 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 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 231 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0532-0940000000-f800e5c50a2685ea9e7a PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 58.800 148515.0 8 79.300 39604.0 2 95.200 29703.0 2 97.000 3579211.5 202 113.000 3287132.0 186 129.900 34653.5 2 132.700 29703.0 2 138.800 103960.5 6 149.000 29703.0 2 154.300 34653.5 2 154.900 69307.0 4 156.900 15049520.0 849 171.300 2064358.5 117 199.200 17698037.5 999 231.000 17331700.5 978 //