MassBank Record: KO000357



 N-alpha-t-Boc-asparagine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000357
RECORD_TITLE: N-alpha-t-Boc-asparagine; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 231 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-01ot-7900000000-d00e5f4b446dce815153 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 42.200 554456.0 38 59.000 336634.0 23 69.600 69307.0 5 70.300 64356.5 4 71.200 24752.5 2 78.900 608911.5 42 86.200 74257.5 5 87.700 29703.0 2 88.900 34653.5 2 95.800 94059.5 6 96.900 14544569.0 999 99.100 14851.5 1 100.400 14851.5 1 113.100 13341597.5 916 114.400 732674.0 50 132.900 74257.5 5 139.100 1292080.5 89 152.600 9901.0 1 154.800 49505.0 3 157.000 2544557.0 175 159.500 9901.0 1 171.300 1470298.5 101 185.100 19802.0 1 187.900 19802.0 1 199.300 1079209.0 74 231.200 212871.5 15 //