MassBank Record: MSBNK-Keio_Univ-KO000033

L-Aspartic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

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ACCESSION: MSBNK-Keio_Univ-KO000033
RECORD_TITLE: L-Aspartic acid; 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 A017

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CH$NAME: Asp
CH$NAME: L-Aspartic acid
CH$NAME: L-Aspartate
CH$NAME: 2-Aminosuccinic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₇NO₄
CH$EXACT_MASS: 133.03751
CH$SMILES: OC(=O)CC(N)C(O)=O
CH$IUPAC: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
CH$LINK: CAS 56-84-8
CH$LINK: CHEBI 17053
CH$LINK: CHEMPDB ASP
CH$LINK: KEGG C00049
CH$LINK: NIKKAJI J9.169C
CH$LINK: PUBCHEM SID:3351
CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N
CH$LINK: COMPTOX DTXSID7022621

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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

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MS$FOCUSED_ION: PRECURSOR_M/Z 132
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

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PK$SPLASH: splash10-0006-9000000000-876e30f6c9ed061091fe
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  41.800 44554.5 999
  45.000 19802.0 444
//