MassBank Record: PR010146



 Sarcosine; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //