MassBank Record: MSBNK-EPA-ENTACT_AGILENT002468
ACCESSION: MSBNK-EPA-ENTACT_AGILENT002468
RECORD_TITLE: 2-(Pyridin-2-yl)ethanol; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: 2-(Pyridin-2-yl)ethanol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H9NO
CH$EXACT_MASS: 123.0684139168
CH$SMILES: OCCC1C=CC=CN=1
CH$IUPAC: InChI=1S/C7H9NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2
CH$LINK: CAS
103-74-2
CH$LINK: INCHIKEY
BXGYBSJAZFGIPX-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7675
AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
MS$FOCUSED_ION: PRECURSOR_M/Z 124.0756903685
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0fb9-9000000000-90daf6b166da02796b1f
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
39.022927 1.558354 15
40.030752 2.039642 20
50.015101 3.193318 31
51.022927 82.400591 823
51.067865 2.317817 23
52.018175 2.862523 28
52.030752 3.868935 38
53.038577 7.944017 79
54.033826 3.493398 34
65.038577 6.625317 66
66.046402 14.157023 141
67.041651 5.345227 53
77.038577 11.022754 110
78.033826 100.000002 999
79.041651 5.38709 53
79.054227 1.896982 18
80.049476 3.579966 35
92.049476 8.815268 88
93.057301 21.658316 216
94.065126 1.483682 14
106.065126 6.330552 63
//