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MassBank Record: KO003218

Isoamylamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003218
RECORD_TITLE: Isoamylamine; 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 I039

CH$NAME: Isoamylamine
CH$NAME: Isopentylamine
CH$NAME: 3-Methylbutanamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H13N
CH$EXACT_MASS: 87.10480
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: KEGG C02640
CH$LINK: NIKKAJI J95.661I
CH$LINK: PUBCHEM SID:5620
CH$LINK: INCHIKEY BMFVGAAISNGQNM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7059355

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 20 V

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

PK$SPLASH: splash10-006x-9000000000-fc2643a5767684b8bc95
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  15.000 69307.0 2
  28.800 19802.0 1
  41.100 1831685.0 55
  43.100 33425776.0 999
  53.500 29703.0 1
  55.200 1049506.0 31
  57.000 24752.5 1
  70.100 118812.0 4
  71.100 17826750.5 533
  88.200 6514858.0 195
//

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