ACCESSION: MSBNK-Keio_Univ-KO002134
RECORD_TITLE: 3-Amino-1,2-propanediol; 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 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 20 V

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

PK$SPLASH: splash10-05fu-9000000000-034181e26d18263596b8
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  30.200 163366.5 26
  43.900 1217823.0 191
  45.100 64356.5 10
  56.300 3331686.5 522
  57.100 277228.0 43
  60.000 69307.0 11
  74.000 6376244.0 999
  74.900 267327.0 42
  91.900 4742579.0 743
//