MassBank Record: MSBNK-Keio_Univ-KO003919
ACCESSION: MSBNK-Keio_Univ-KO003919
RECORD_TITLE: Procaine; LC-ESI-QQ; MS2; CE:30 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 P190
CH$NAME: Procaine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H20N2O2
CH$EXACT_MASS: 236.15248
CH$SMILES: CCN(CC)CCOC(=O)c(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3
CH$LINK: CAS
59-46-1
CH$LINK: KEGG
C07375
CH$LINK: NIKKAJI
J4.603E
CH$LINK: PUBCHEM
SID:9579
CH$LINK: INCHIKEY
MFDFERRIHVXMIY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7045021
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 237
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0uk9-0900000000-997e743a0702a7a5b54f
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
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57.300 113861.5 2
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237.400 163366.5 3
//