MassBank Record: MSBNK-Keio_Univ-KO001781
ACCESSION: MSBNK-Keio_Univ-KO001781
RECORD_TITLE: L-Serine; 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 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$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 104
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-9100000000-b9f6b4b6ee7c88a9c569
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
42.200 44554.5 6
45.300 39604.0 6
56.200 59406.0 8
58.300 44554.5 6
71.700 64356.5 9
74.200 7034660.5 999
103.900 1495051.0 212
//
system version 2.2.6-SNAPSHOT