ACCESSION: MSBNK-Keio_Univ-KO002370
RECORD_TITLE: 2-Amino-2-(hydroxymethyl)-1,3-propanediol; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0a4i-9000000000-a468801012da982d3bac
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  30.200 178218.0 61
  38.900 59406.0 20
  40.900 331683.5 114
  43.900 39604.0 14
  45.100 69307.0 24
  56.100 2905943.5 999
  57.200 2886141.5 992
  58.100 49505.0 17
  67.900 103960.5 36
  69.000 311881.5 107
  74.000 396040.0 136
  77.700 212871.5 73
  78.200 143564.5 49
  86.000 29703.0 10
  93.400 19802.0 7
  95.200 29703.0 10
  95.900 34653.5 12
  104.100 74257.5 26
  105.000 376238.0 129
  105.800 44554.5 15
  107.200 79208.0 27
  122.100 49505.0 17
//