ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012072
RECORD_TITLE: (3S,5S)-3-HYDROXY-1-METHYL-5-(3-PYRIDINYL)-2-PYRROLIDINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SUMITA Y, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: (3S,5S)-3-HYDROXY-1-METHYL-5-(3-PYRIDINYL)-2-PYRROLIDINONE
CH$NAME: CIS-3-HYDROXYCOTININE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂N₂O₂
CH$EXACT_MASS: 192.08988
CH$SMILES: O=C(N(C)1)C([H])(O)CC([H])(c(c2)cncc2)1
CH$IUPAC: InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9-/m0/s1
CH$LINK: INCHIKEY XOKCJXZZNAUIQN-IUCAKERBSA-N

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052f-4900000000-1f913b1ba5498dccd932
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  28 1.86 19
  30 1.48 15
  42 10.38 104
  43 2.43 24
  51 1.07 11
  52 1.58 16
  53 1.12 11
  55 1.29 13
  56 4.59 46
  57 2.36 24
  58 9.72 97
  64 1.02 10
  65 3.25 33
  66 1.02 10
  77 4.08 41
  78 7.58 76
  79 29.91 299
  80 15.05 151
  81 1.2 12
  86 13.43 134
  89 1.04 10
  90 2.81 28
  91 1.76 18
  92 20.01 200
  93 37.22 372
  94 2.99 30
  98 1.48 15
  104 5.88 59
  105 6.86 69
  106 99.99 999
  107 14.39 144
  108 3.33 33
  114 25.69 257
  115 1.64 16
  116 1.91 19
  117 6.23 62
  118 10.08 101
  119 18.14 181
  120 7.27 73
  121 4.54 45
  132 1.26 13
  133 1.99 20
  134 21.94 219
  135 52.77 528
  136 5.15 52
  148 3.81 38
  161 1.59 16
  163 4.04 40
  164 1.04 10
  174 3.28 33
  175 1.4 14
  191 2.41 24
  192 74.54 745
  193 12.1 121
  194 1.21 12
//