ACCESSION: MSBNK-Keio_Univ-KO002372
RECORD_TITLE: 2-Amino-2-(hydroxymethyl)-1,3-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 A194

CH$NAME: 2-Amino-2-(hydroxymethyl)-1,3-propanediol
CH$NAME: Trometamol
CH$NAME: Tromethamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₁₁NO₃
CH$EXACT_MASS: 121.07389
CH$SMILES: OCC(N)(CO)CO
CH$IUPAC: InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2
CH$LINK: CAS 77-86-1
CH$LINK: KEGG C07182
CH$LINK: NIKKAJI J4.214E
CH$LINK: PUBCHEM SID:9391
CH$LINK: INCHIKEY LENZDBCJOHFCAS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2023723

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$FOCUSED_ION: PRECURSOR_M/Z 122
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4i-9000000000-2983a91b4350760fab44
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  30.000 69307.0 378
  39.100 108911.0 594
  40.900 108911.0 594
  41.800 14851.5 81
  56.300 138614.0 756
  57.200 183168.5 999
  65.400 19802.0 108
  72.200 14851.5 81
  76.600 14851.5 81
  77.800 29703.0 162
//