ACCESSION: MSBNK-Keio_Univ-KO002368
RECORD_TITLE: 2-Amino-2-(hydroxymethyl)-1,3-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 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 10 V

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

PK$SPLASH: splash10-00di-0900000000-53da6b0f35ab1e8e8a57
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  36.300 64356.5 1
  45.700 9901.0 1
  50.000 1202971.5 11
  54.300 24752.5 1
  56.000 356436.0 3
  56.800 69307.0 1
  62.900 326733.0 3
  68.100 49505.0 1
  69.000 287129.0 3
  72.700 79208.0 1
  73.800 64356.5 1
  76.300 39604.0 1
  77.000 29703.0 1
  81.200 79208.0 1
  86.100 89109.0 1
  87.300 613862.0 6
  90.000 207921.0 2
  104.100 17371304.5 163
  104.900 5504956.0 52
  122.200 106336740.0 999
//