MassBank Record: KO003220

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Isoamylamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003220
RECORD_TITLE: Isoamylamine; LC-ESI-QQ; MS2; CE:40 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 I039

CH$NAME: Isoamylamine
CH$NAME: Isopentylamine
CH$NAME: 3-Methylbutanamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H13N
CH$EXACT_MASS: 87.1048
CH$SMILES: NCCC(C)C
CH$IUPAC: InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
CH$LINK: CAS 107-85-7
CH$LINK: COMPTOX DTXSID7059355
CH$LINK: INCHIKEY BMFVGAAISNGQNM-UHFFFAOYSA-N
CH$LINK: KEGG C02640
CH$LINK: NIKKAJI J95.661I
CH$LINK: PUBCHEM SID:5620

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE: MS2
AC$MASS_SPECTROMETRY: ION_MODE: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 88
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-9000000000-ccfecc37aae2b909c394
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  26.9 113862.0 28.0
  39.0 589110.0 147.0
  41.2 4000000.0 999.0
  42.6 44554.5 11.0
  43.2 1613860.0 403.0
  44.7 19802.0 5.0
  53.3 49505.0 12.0
  55.3 123762.0 31.0
//