ACCESSION: MSBNK-RIKEN-PR010195
RECORD_TITLE: DL-alpha-Hydroxybutyric acid; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: DL-alpha-Hydroxybutyric acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₈O₃
CH$EXACT_MASS: 104.04734
CH$SMILES: CCC(O)C(O)=O
CH$IUPAC: InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
CH$LINK: CAS 103404-58-6
CH$LINK: INCHIKEY AFENDNXGAFYKQO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8041903

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_INDEX 1118
AC$CHROMATOGRAPHY: RETENTION_TIME 284.814 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C10H24O3Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 248.1264
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00e9-9700000000-93eba027d5343e3d6ce1
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  60 16 16
  61 36 36
  62 3 3
  63 2 2
  65 1 1
  66 91 91
  67 10 10
  69 8 8
  70 8 8
  71 11 11
  72 28 28
  73 999 999
  74 97 97
  75 145 145
  76 14 14
  77 24 24
  78 2 2
  79 6 6
  81 49 49
  82 4 4
  83 1 1
  84 1 1
  85 14 14
  86 1 1
  87 11 11
  88 2 2
  89 4 4
  94 1 1
  95 11 11
  96 1 1
  99 14 14
  100 1 1
  101 21 21
  102 6 6
  103 13 13
  104 2 2
  105 6 6
  109 3 3
  113 2 2
  115 27 27
  116 6 6
  117 16 16
  118 2 2
  119 3 3
  129 5 5
  130 10 10
  131 508 508
  132 63 63
  133 78 78
  134 9 9
  135 4 4
  143 11 11
  144 1 1
  145 1 1
  147 425 425
  148 68 68
  149 41 41
  150 4 4
  151 1 1
  175 2 2
  189 2 2
  190 24 24
  191 6 6
  192 2 2
  205 44 44
  206 9 9
  207 4 4
  217 1 1
  219 3 3
  233 21 21
  234 4 4
  235 1 1
//