ACCESSION: MSBNK-Keio_Univ-KO003988
RECORD_TITLE: Sarcosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID S014

CH$NAME: Sarcosine
CH$NAME: N-Methylglycine
CH$COMPOUND_CLASS: N/A
CH$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 SID:3513
CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1047025

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 90
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-9000000000-ef853c67634f1a7da8f5
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  36.600 198020.0 42
  44.100 4717826.5 999
  54.500 29703.0 6
  72.200 103960.5 22
  73.300 89109.0 19
  90.200 732674.0 155
//