MassBank Record: MSBNK-Keio_Univ-KO000211
ACCESSION: MSBNK-Keio_Univ-KO000211
RECORD_TITLE: 5-Aminopentanoic acid; 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 A135
CH$NAME: 5-Aminopentanoate
CH$NAME: 5-Aminovaleric acid
CH$NAME: 5-Aminopentanoic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H11NO2
CH$EXACT_MASS: 117.07898
CH$SMILES: NCCCCC(O)=O
CH$IUPAC: InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
CH$LINK: CAS
660-88-8
CH$LINK: CHEBI
15887
CH$LINK: KEGG
C00431
CH$LINK: NIKKAJI
J38.132B
CH$LINK: PUBCHEM
SID:3720
CH$LINK: INCHIKEY
JJMDCOVWQOJGCB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70216212
AC$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$FOCUSED_ION: PRECURSOR_M/Z 116
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0900000000-f5c899766b4d912df5ce
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
57.200 39604.0 6
58.200 39604.0 6
68.100 188119.0 28
69.700 44554.5 7
71.000 14851.5 2
72.200 44554.5 7
86.800 34653.5 5
98.200 103960.5 16
99.100 24752.5 4
99.400 19802.0 3
116.200 6599016.5 999
//