ACCESSION: MSBNK-Keio_Univ-KO002389
RECORD_TITLE: 2-Amino-2-methyl-1,3-propanediol; LC-ESI-QQ; MS2; CE:20 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 A224

CH$NAME: 2-Amino-2-methyl-1,3-propanediol
CH$NAME: 2-Amino-2-methyl-1,3-propandiol
CH$NAME: Aminomethyl propanediol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₁₁NO₂
CH$EXACT_MASS: 105.07898
CH$SMILES: OCC(C)(N)CO
CH$IUPAC: InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3
CH$LINK: CAS 115-69-5
CH$LINK: CHEBI 991
CH$LINK: KEGG C11260
CH$LINK: NIKKAJI J35.183K
CH$LINK: PUBCHEM SID:13437
CH$LINK: INCHIKEY UXFQFBNBSPQBJW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7059430

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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 106
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-9100000000-5d07589964bdb4f1894f
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  43.200 153465.5 120
  46.000 242574.5 189
  46.200 133663.5 104
  58.100 242574.5 189
  59.100 99010.0 77
  60.300 118812.0 93
  61.400 39604.0 31
  63.700 34653.5 27
  70.100 113861.5 89
  71.000 618812.5 482
  72.000 435644.0 339
  73.900 1282179.5 999
  88.100 391089.5 305
  88.900 316832.0 247
  94.900 34653.5 27
  106.100 554456.0 432
  420.400 9901.0 8
//