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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)

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$LINK: PUBCHEM SID:4598
CH$LINK: INCHIKEY FYYSQDHBALBGHX-YFKPBYRVSA-N
CH$LINK: COMPTOX DTXSID80884401

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
//

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