ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002961
RECORD_TITLE: ALPHA-METHYLENE-BETA,GAMMA-DIHYDROXYBUTYRIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA-METHYLENE-BETA,GAMMA-DIHYDROXYBUTYRIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O₄
CH$EXACT_MASS: 132.04226
CH$SMILES: OCC(O)C(=C)C(O)=O
CH$IUPAC: InChI=1S/C5H8O4/c1-3(5(8)9)4(7)2-6/h4,6-7H,1-2H2,(H,8,9)
CH$LINK: INCHIKEY OIWJREZAJZVGQN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90558782

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05oa-9000000000-3104be0b75f0c3da07a5
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  37 9.5 95
  38 12.7 127
  39 67.6 676
  40 3.72 37
  41 12.2 122
  42 8.8 88
  43 48.6 486
  44 7.36 74
  45 25.7 257
  55 37.2 372
  56 53.4 534
  57 0.19 2
  60 21 210
  67 8.8 88
  68 50.6 506
  84 99.99 999
  96 60.8 608
//