ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004159
RECORD_TITLE: (2-OXO-1-PYRROLIDINYL)ACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: (2-OXO-1-PYRROLIDINYL)ACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₉NO₃
CH$EXACT_MASS: 143.05824
CH$SMILES: OC(=O)CN(C1)C(=O)CC1
CH$IUPAC: InChI=1S/C6H9NO3/c8-5-2-1-3-7(5)4-6(9)10/h1-4H2,(H,9,10)
CH$LINK: INCHIKEY JGPIWNNFLKDTSR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80389845

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-0005-9000000000-5e4b292adb6c2b80be69
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  25 0.3 3
  26 4 40
  27 14.2 142
  28 2.94 29
  29 4.6 46
  30 7.4 74
  31 4.4 44
  32 0.01 0
  36 0.1 1
  37 0.8 8
  38 1.9 19
  39 1.46 15
  40 5.4 54
  41 51.8 518
  42 44.2 442
  43 1.78 18
  44 4.8 48
  45 7.8 78
  46 0.2 2
  49 0.02 0
  50 0.3 3
  51 0.4 4
  52 0.9 9
  53 0.2 2
  54 3 30
  55 4.8 48
  56 6 60
  57 0.1 1
  58 1.4 14
  59 1.6 16
  60 2.8 28
  61 0.01 0
  64 0.1 1
  65 0.1 1
  66 0.3 3
  67 0.07 1
  68 13 130
  69 25.4 254
  70 69.4 694
  71 0.7 7
  72 0.3 3
  73 0.2 2
  74 0.5 5
  75 0.01 0
  80 0.9 9
  81 0.1 1
  82 0.1 1
  83 0.03 0
  84 16.2 162
  85 1.3 13
  86 0.6 6
  87 0.02 0
  88 2.2 22
  89 0.1 1
  96 3 30
  97 0.21 2
  98 99.99 999
  99 43.8 438
  100 2.8 28
  101 0.07 1
  112 0.3 3
  113 0.2 2
  114 1.1 11
  115 0.13 1
  125 0.1 1
  126 0.9 9
  127 0.1 1
  128 0.01 0
  140 0.1 1
  141 0.1 1
  142 0.3 3
  143 2.6 26
  144 10.2 102
  145 1 10
  146 0.1 1
//