MassBank Record: MSBNK-Keio_Univ-KO001088
ACCESSION: MSBNK-Keio_Univ-KO001088
RECORD_TITLE: 5-Hydroxylysine; 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 H064
CH$NAME: 5-Hydroxylysine
CH$NAME: Procollagen 5-hydroxy-L-lysine
CH$NAME: 5-Hydroxy-L-lysine
CH$NAME: Procollagen L-erythro-5-hydroxy-L-lysine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14N2O3
CH$EXACT_MASS: 162.10044
CH$SMILES: NCC(O)CC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4?,5-/m0/s1
CH$LINK: CAS
1190-94-9
CH$LINK: CHEBI
18040
CH$LINK: KEGG
C01211
CH$LINK: NIKKAJI
J38.540I
CH$LINK: PUBCHEM
SID:4433
CH$LINK: INCHIKEY
YSMODUONRAFBET-AKGZTFGVSA-N
AC$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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 161
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0i6v-6900000000-9436de6861669f1e77e2
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
44.900 59406.0 128
54.500 24752.5 53
57.800 49505.0 106
58.200 123762.5 266
64.900 24752.5 53
67.700 9901.0 21
70.100 39604.0 85
71.900 54455.5 117
74.200 237624.0 510
80.300 29703.0 64
81.700 54455.5 117
84.200 143564.5 308
85.200 74257.5 159
86.200 49505.0 106
97.100 262376.5 563
98.100 54455.5 117
101.400 163366.5 351
101.800 212871.5 457
107.800 19802.0 43
112.300 39604.0 85
113.300 24752.5 53
114.500 59406.0 128
115.300 465347.0 999
124.900 74257.5 159
126.000 49505.0 106
141.000 163366.5 351
142.900 207921.0 446
159.100 34653.5 74
161.200 311881.5 670
//
system version 2.2.6-SNAPSHOT