ACCESSION: MSBNK-Keio_Univ-KO003990
RECORD_TITLE: Sarcosine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-0006-9000000000-bab0ab3587973d3ad4aa
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  35.700 19802.0 17
  41.900 39604.0 34
  44.200 1168318.0 999
  60.300 14851.5 13
  373.500 9901.0 8
//