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MassBank Record: KO002133

3-Amino-1,2-propanediol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO002133
RECORD_TITLE: 3-Amino-1,2-propanediol; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0006-9000000000-f65a4b2fd876fb3b2163
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  16.400 19802.0 1
  44.000 59406.0 1
  44.300 14851.5 1
  56.100 500000.5 5
  56.900 19802.0 1
  60.000 173267.5 2
  74.000 9886148.5 107
  75.100 757426.5 8
  91.900 92252567.5 999
//

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