MassBank Record: MSBNK-Keio_Univ-KO000103
ACCESSION: MSBNK-Keio_Univ-KO000103
RECORD_TITLE: 6-Aminohexanoic acid; 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 A053
CH$NAME: 6-Aminohexanoate
CH$NAME: 6-Aminocaproic acid
CH$NAME: Epsilcapramine
CH$NAME: 6-Aminohexanoic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H13NO2
CH$EXACT_MASS: 131.09463
CH$SMILES: NCCCCCC(O)=O
CH$IUPAC: InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
CH$LINK: CAS
60-32-2
CH$LINK: CHEBI
32396
CH$LINK: KEGG
C02378
CH$LINK: NIKKAJI
J1.398F
CH$LINK: PUBCHEM
SID:5420
CH$LINK: INCHIKEY
SLXKOJJOQWFEFD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0020070
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 130
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-a47431cd716ecb19b9e6
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
58.000 207921.0 1
85.800 29703.0 1
88.200 1653467.0 11
101.400 19802.0 1
111.700 49505.0 1
127.900 767327.5 5
130.100 155302135.5 999
//
system version 2.2.6-SNAPSHOT