ACCESSION: MSBNK-RIKEN-PR010146
RECORD_TITLE: Sarcosine; 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$NAME: Sarcosine
CH$NAME: N-Methylglycine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₃H₇NO₂
CH$EXACT_MASS: 89.04768
CH$SMILES: CNCC(O)=O
CH$IUPAC: InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
CH$LINK: CAS 107-97-1
CH$LINK: CHEBI 15611
CH$LINK: KEGG C00213
CH$LINK: NIKKAJI J5.067I
CH$LINK: PUBCHEM 3513
CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1047025

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$CHROMATOGRAPHY: RETENTION_INDEX 1132.1
AC$CHROMATOGRAPHY: RETENTION_TIME 291.658 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C9H23NO2Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 233.12673
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00xr-9800000000-b066cf015be7d1b1ec05
PK$NUM_PEAK: 89
PK$PEAK: m/z int. rel.int.
  60 46 46
  61 6 6
  62 2 2
  66 7 7
  67 12 12
  70 7 7
  71 26 26
  72 57 57
  73 999 999
  74 123 123
  75 56 56
  77 27 27
  78 2 2
  82 3 3
  83 1 1
  84 7 7
  85 13 13
  86 47 47
  88 6 6
  90 2 2
  93 1 1
  94 2 2
  96 2 2
  97 3 3
  101 23 23
  105 2 2
  106 1 1
  108 2 2
  109 1 1
  113 6 6
  114 12 12
  116 863 863
  117 86 86
  118 17 17
  121 4 4
  129 1 1
  130 6 6
  131 5 5
  134 3 3
  141 1 1
  142 2 2
  144 7 7
  147 177 177
  148 40 40
  149 9 9
  159 2 2
  163 1 1
  166 5 5
  169 1 1
  171 1 1
  173 1 1
  174 2 2
  175 10 10
  176 3 3
  177 4 4
  182 1 1
  185 3 3
  187 2 2
  188 2 2
  190 46 46
  191 1 1
  192 9 9
  195 1 1
  202 1 1
  206 2 2
  208 1 1
  213 2 2
  214 1 1
  218 29 29
  219 2 2
  226 1 1
  227 1 1
  230 1 1
  233 18 18
  234 1 1
  368 1 1
  464 1 1
  475 1 1
  528 1 1
  538 1 1
  542 1 1
  639 1 1
  683 1 1
  704 1 1
  707 2 2
  715 1 1
  753 1 1
  766 1 1
  768 1 1
//