ACCESSION: MSBNK-Keio_Univ-KO002371
RECORD_TITLE: 2-Amino-2-(hydroxymethyl)-1,3-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 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 40 V

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

PK$SPLASH: splash10-0a4i-9000000000-eb66f99d48d2027e0fb2
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  30.200 54455.5 59
  30.400 14851.5 16
  39.200 153465.5 166
  41.100 262376.5 283
  43.300 44554.5 48
  44.900 49505.0 53
  56.100 856436.5 924
  57.100 925743.5 999
  68.300 29703.0 32
  69.200 34653.5 37
  72.600 19802.0 21
  77.100 39604.0 43
  78.200 257426.0 278
  79.200 24752.5 27
  106.400 44554.5 48
//