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MassBank Record: KO000358

N-alpha-t-Boc-asparagine; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO000358
RECORD_TITLE: N-alpha-t-Boc-asparagine; LC-ESI-QQ; MS2; CE:30 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 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 231
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-01ot-9500000000-3d47709f549949c4411c
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  41.900 1529704.5 188
  59.300 410891.5 50
  69.900 856436.5 105
  70.900 267327.0 33
  72.300 19802.0 2
  79.000 3861390.0 474
  86.200 29703.0 4
  87.700 34653.5 4
  95.600 44554.5 5
  96.400 267327.0 33
  97.000 8133671.5 999
  113.100 6445551.0 792
  114.200 970298.0 119
  139.200 737624.5 91
  148.900 19802.0 2
  157.100 34653.5 4
  170.800 534654.0 66
  231.000 14851.5 2
//

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