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