ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000242
RECORD_TITLE: 3-HYDROXYMETHYL-6-METHYL-2,5-PIPERAZINEDIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3-HYDROXYMETHYL-6-METHYL-2,5-PIPERAZINEDIONE
CH$NAME: CYCLO-ALANYL-SERINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10N2O3
CH$EXACT_MASS: 158.06914
CH$SMILES: OCC(N1)C(=O)NC(C)C(=O)1
CH$IUPAC: InChI=1S/C6H10N2O3/c1-3-5(10)8-4(2-9)6(11)7-3/h3-4,9H,2H2,1H3,(H,7,11)(H,8,10)
CH$LINK: INCHIKEY JJDWARJCLFFKRT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70694692
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-c5cb779dbd5dd7e602d3
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  14 2.7 27
  15 20.5 205
  26 3.7 37
  27 1.22 12
  28 58.9 589
  29 8.3 83
  30 10.5 105
  31 1.12 11
  32 1.7 17
  39 1.5 15
  40 4.9 49
  41 1.14 11
  42 34 340
  43 11.5 115
  44 99.99 999
  45 0.31 3
  54 1.8 18
  55 6 60
  56 6.6 66
  57 0.64 6
  58 3 30
  59 1.5 15
  60 19.6 196
  69 0.54 5
  70 5.3 53
  71 8.7 87
  72 2.1 21
  73 0.16 2
  83 1.2 12
  84 1 10
  85 8.5 85
  86 0.1 1
  87 2.6 26
  97 6.4 64
  98 1.6 16
  99 1.57 16
  100 2.1 21
  111 1.3 13
  112 2.8 28
  113 1.56 16
  114 1.3 13
  115 2.4 24
  127 2.9 29
  128 7.45 75
  129 5.9 59
  140 5.1 51
  158 1.3 13
  159 1.1 11
//
