ACCESSION: MSBNK-Keio_Univ-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: 87.10480
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 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.
  26.900 113861.5 28
  39.000 589109.5 147
  41.200 4000004.0 999
  42.600 44554.5 11
  43.200 1613863.0 403
  44.700 19802.0 5
  53.300 49505.0 12
  55.300 123762.5 31
//