MassBank Record: MSBNK-Keio_Univ-KO003221

Isoamylamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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ACCESSION: MSBNK-Keio_Univ-KO003221
RECORD_TITLE: Isoamylamine; 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 I039

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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

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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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

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

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PK$SPLASH: splash10-000f-9000000000-6ce1c7de6adde7b9b85c
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  27.000 89109.0 102
  39.100 490099.5 559
  41.200 876238.5 999
  42.800 79208.0 90
//