ACCESSION: MSBNK-Keio_Univ-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$LINK: PUBCHEM SID:4598
CH$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 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
//