MassBank Record: MSBNK-Keio_Univ-KO003967
ACCESSION: MSBNK-Keio_Univ-KO003967
RECORD_TITLE: L-Serine; LC-ESI-QQ; MS2; CE:10 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 S002
CH$NAME: Ser
CH$NAME: L-2-Amino-3-hydroxypropionic acid
CH$NAME: L-Serine
CH$NAME: L-3-Hydroxy-alanine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H7NO3
CH$EXACT_MASS: 105.04259
CH$SMILES: OC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
CH$LINK: CAS
56-45-1
CH$LINK: CHEBI
17115
CH$LINK: CHEMPDB SER
CH$LINK: KEGG
C00065
CH$LINK: NIKKAJI
J1.195I
CH$LINK: PUBCHEM
SID:3365
CH$LINK: INCHIKEY
MTCFGRXMJLQNBG-REOHCLBHSA-N
CH$LINK: COMPTOX
DTXSID60883230
AC$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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 106
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-6900000000-eadedc5e90cae2073397
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
36.000 84158.5 3
40.700 29703.0 1
46.200 6207927.0 246
50.000 198020.0 8
51.800 79208.0 3
55.300 158416.0 6
56.000 103960.5 4
60.100 5153470.5 204
70.200 202970.5 8
70.900 153465.5 6
71.800 49505.0 2
74.100 1316833.0 52
88.200 2262378.5 90
88.900 2420794.5 96
106.000 25183193.5 999
123.500 49505.0 2
188.300 44554.5 2
//