MassBank Record: MSBNK-Keio_Univ-KO002137

3-Amino-1,2-propanediol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

---

ACCESSION: MSBNK-Keio_Univ-KO002137
RECORD_TITLE: 3-Amino-1,2-propanediol; 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 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 50 V

---

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

---

PK$SPLASH: splash10-000y-9000000000-21e364a21232b1f5465d
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  31.400 44554.5 817
  43.800 54455.5 999
  45.000 29703.0 545
//