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MassBank Record: KO002136

3-Amino-1,2-propanediol; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO002136
RECORD_TITLE: 3-Amino-1,2-propanediol; 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 A046

CH$NAME: 3-Amino-1,2-propanediol
CH$NAME: 3-Aminopropane-1,2-diol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H9NO2
CH$EXACT_MASS: 91.06333
CH$SMILES: NCC(O)CO
CH$IUPAC: InChI=1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2
CH$LINK: KEGG C06057
CH$LINK: PUBCHEM SID:8327
CH$LINK: INCHIKEY KQIGMPWTAHJUMN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30862294

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$FOCUSED_ION: PRECURSOR_M/Z 92
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4l-9000000000-265f0f320aafd50702d7
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  13.900 9901.0 30
  29.900 19802.0 60
  30.300 103960.5 313
  42.900 29703.0 89
  44.100 301980.5 910
  56.300 331683.5 999
  56.500 59406.0 179
  57.400 29703.0 89
  73.300 19802.0 60
//

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